data_1x5r_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 1x5r _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 ' 15' ' ' GLU . . . . . 0.473 ' O ' ' CG2' ' A' ' 16' ' ' THR . 1.5 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 15' ' ' GLU . 13.2 p -157.07 161.06 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.401 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 5.2 t -135.67 135.92 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -95.58 117.14 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 50.9 t -103.05 110.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.413 ' CG1' ' HE3' ' A' ' 98' ' ' LYS . 62.6 t -95.82 112.09 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 15.9 mt -109.21 148.87 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -133.85 146.03 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 108.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.32 177.6 47.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -89.43 165.4 25.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.5 Cg_endo -74.93 -16.05 20.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.059 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.08 -55.9 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -12.93 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.29 -127.38 42.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CE2' HG13 ' A' ' 99' ' ' VAL . 11.3 m-85 -123.9 -88.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.45 69.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -163.84 145.55 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -121.68 134.1 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.43 153.5 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.1 tt0 -128.33 123.28 33.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.29 -152.92 6.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.53 158.13 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -70.63 -48.24 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.1 153.47 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.0 -52.61 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.9 p -68.31 77.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.93 137.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.421 ' N ' HG22 ' A' ' 82' ' ' THR . 23.9 m -59.78 163.19 4.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' N ' HG21 ' A' ' 42' ' ' THR . 77.6 mt -112.01 118.83 36.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.6 m -78.36 -24.44 46.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.34 163.34 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.43 22.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.78 31.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.764 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -97.1 166.03 11.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 52' ' ' ILE . 23.9 t -73.65 82.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -42.15 -57.89 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 8.5 t80 -150.98 167.76 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.596 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 42.7 mt -136.63 145.56 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.5 mt-10 -81.79 138.28 46.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.77 14.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.8 11.82 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -82.76 178.06 2.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.1 Cg_endo -75.03 -39.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -63.7 -28.77 70.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -81.88 -38.04 25.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -54.4 -29.67 49.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 108.307 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.82 -59.89 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -44.03 -36.55 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.2 144.06 38.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 13.9 pt20 -170.83 164.44 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.04 131.98 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.42 -36.54 4.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -46.62 170.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.475 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -123.08 156.3 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.26 93.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 38.3 mt -62.74 -62.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.9 p -134.36 169.16 17.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.442 ' CG2' ' OD1' ' A' ' 74' ' ' ASN . 67.5 mt -133.74 111.65 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.442 ' OD1' ' CG2' ' A' ' 73' ' ' ILE . 0.9 OUTLIER 68.73 12.02 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.3 -1.46 32.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.88 116.71 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.78 136.9 56.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.6 p -82.93 -28.66 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.0 -18.93 61.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -103.97 33.03 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.13 -172.45 25.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 42' ' ' THR . 71.2 p -108.55 151.17 26.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.373 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.445 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -37.51 -58.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -47.72 -57.17 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -43.71 -48.19 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.62 -50.96 68.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.445 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.7 m-20 -62.77 -46.48 87.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -60.01 -39.86 87.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.09 -28.83 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 mt -78.05 -29.14 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -58.11 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -52.3 -39.97 61.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 99' ' ' VAL . . . -60.93 -44.26 97.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.12 76.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 52.7 mt -61.34 -16.41 45.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.62 -13.8 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.6 m170 74.19 7.98 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HE3' ' CG1' ' A' ' 20' ' ' VAL . 4.2 tttt -153.31 148.81 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.57 HG13 ' CE2' ' A' ' 29' ' ' PHE . 4.8 p -149.93 156.31 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.5 t -132.86 123.72 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.89 148.88 38.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.69 117.15 27.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.4 t -102.08 152.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 6.2 tt0 -110.44 145.41 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.401 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 25.8 p90 178.44 163.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -138.15 155.75 48.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -133.52 152.14 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.47 ' HG3' ' CG1' ' A' ' 100' ' ' VAL . 12.7 tt0 -114.93 117.79 31.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.57 127.87 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -107.12 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.503 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 14.0 mt -99.84 141.63 32.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.7 148.44 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.284 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.84 178.51 46.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.49 165.41 38.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.445 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.0 -14.93 20.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.52 -49.25 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -76.37 -31.66 58.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.25 -126.19 7.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' A' ' 99' ' ' VAL . 11.8 m-85 -135.43 12.56 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.1 55.1 20.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -149.48 142.25 24.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 0.794 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -124.87 135.76 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.85 158.61 15.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.0 114.53 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.75 -147.32 4.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.29 177.91 0.43 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.0 mm -86.19 -48.38 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -83.41 114.92 21.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.37 -46.14 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -67.14 -167.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 67.71 127.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.3 m -52.43 157.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -99.33 115.09 28.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -73.45 -28.14 61.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.5 162.83 55.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 142.94 28.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.92 34.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.019 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -103.63 167.75 9.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -75.56 99.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.3 -53.11 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.339 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 24.9 t80 -151.2 169.35 22.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.575 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 27.1 mt -142.04 141.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -78.93 143.56 62.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 131.27 14.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.69 9.21 7.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -76.4 178.62 1.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.96 -39.41 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -63.64 -25.43 68.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 6.1 tm-20 -90.19 -36.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -37.18 70.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.1 m -63.49 -28.33 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.256 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.11 -54.94 2.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLY . 8.1 mt -40.02 -57.1 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.89 139.19 54.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -170.33 151.06 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.8 t -47.74 127.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.36 -39.44 2.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -45.12 166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -118.36 158.05 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -130.2 94.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 35.9 mt -60.49 -62.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 p -128.78 169.88 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.532 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 92.6 mt -130.84 110.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.65 7.34 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.88 -0.32 25.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mm -98.64 120.27 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 122.7 19.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.1 p -69.51 -26.57 64.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.06 -15.66 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -100.91 40.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.07 -170.82 42.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.0 p -103.69 160.46 14.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.431 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.454 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -37.9 -58.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -42.49 -58.56 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -38.35 -51.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.14 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 14.9 m-20 -62.92 -55.87 22.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -46.09 -34.21 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.9 mt -66.54 -49.48 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.532 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -55.13 -36.11 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.94 -68.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -49.7 -36.03 23.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -66.06 -37.88 86.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 53.8 mt -66.37 -16.88 64.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.92 40.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.3 m170 67.88 11.36 8.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.62 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.27 153.21 32.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.566 HG12 ' CD2' ' A' ' 29' ' ' PHE . 12.3 p -161.48 144.15 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 18' ' ' GLU . 63.6 t -114.19 133.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.31 145.08 47.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 111.64 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.4 t -99.77 155.4 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 3.9 tt0 -121.35 136.81 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -169.58 179.8 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -152.9 134.2 14.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 t -114.97 131.95 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.422 ' CG ' HG12 ' A' ' 100' ' ' VAL . 18.7 tt0 -98.42 118.24 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 51.5 t -107.1 134.92 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -115.02 107.12 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 21.7 mt -101.5 147.33 26.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.77 145.78 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.15 -172.77 42.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.38 166.39 13.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.444 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.01 -16.64 20.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.87 -47.63 5.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -82.22 -1.47 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.16 -117.97 3.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 99' ' ' VAL . 26.9 m-85 -134.44 -89.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.33 56.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -150.69 141.4 22.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -119.38 130.04 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.6 mt -88.11 156.66 19.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.0 tt0 -141.38 109.54 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -127.56 -155.86 8.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . -134.71 -175.23 13.77 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 36' ' ' GLY . 1.2 mp 59.01 156.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -43.28 150.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.75 -38.5 7.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 1.2 t -106.13 99.47 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' CB ' ' O ' ' A' ' 40' ' ' THR . 0.8 OUTLIER 166.74 137.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.412 ' N ' HG21 ' A' ' 82' ' ' THR . 50.9 m -42.88 151.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.2 mt -104.56 126.69 51.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.1 p -76.84 -27.88 55.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.493 ' CA ' ' OE1' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -134.62 163.33 51.99 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.54 24.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.45 33.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -107.65 171.03 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.474 ' CG1' HG13 ' A' ' 52' ' ' ILE . 37.6 t -75.57 98.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.58 -52.06 67.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.4 t80 -149.6 169.82 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 81.1 mt -139.31 141.6 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' HG21 ' A' ' 52' ' ' ILE . 1.9 mt-10 -80.44 138.08 51.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.83 14.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.61 11.76 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -85.34 178.05 2.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.97 -40.34 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -63.31 -22.77 67.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -88.62 -38.15 15.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.44 -24.84 65.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.57 -28.09 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 -57.77 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.58 134.51 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 26.4 pt20 -167.31 154.77 8.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.7 t -45.27 130.98 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.75 -33.12 5.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.59 132.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 4.7 mtp180 -85.41 163.66 18.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.41 88.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 50.7 mt -58.11 -59.41 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.1 p -130.83 164.82 24.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 67.3 mt -134.78 111.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.3 t-20 76.47 2.06 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.06 -3.52 20.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.458 ' CG2' HD12 ' A' ' 89' ' ' LEU . 12.5 mm -98.35 126.38 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.51 126.24 30.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.5 p -71.24 -30.73 66.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' OE1' ' CA ' ' A' ' 45' ' ' SER . 4.3 mm-40 -66.69 -21.17 66.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.62 17.93 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.44 -170.1 12.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 42' ' ' THR . 8.1 p -112.41 152.01 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.436 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -38.26 -58.24 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -57.01 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -43.85 -51.94 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.59 -47.01 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.436 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 18.0 m-20 -64.18 -49.25 72.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.45 -40.93 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 76' ' ' ILE . 37.2 mt -56.94 -33.77 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 mt -72.99 -36.18 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -61.88 -61.09 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -49.45 -52.28 30.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.455 ' CB ' ' CG2' ' A' ' 99' ' ' VAL . . . -48.39 -47.97 37.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.78 -44.54 70.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 40.2 mt -60.95 -17.23 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.08 -13.72 24.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 m170 74.95 10.77 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 147.64 25.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' A' ' 29' ' ' PHE . 7.9 p -151.72 148.07 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.422 HG12 ' CG ' ' A' ' 18' ' ' GLU . 87.8 t -121.15 133.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -125.87 153.47 44.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.56 116.31 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.427 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 2.0 t -99.35 158.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 19.9 tt0 -119.42 132.14 55.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 6.5 p90 -173.85 169.99 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 p -135.89 157.02 47.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -133.42 142.53 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' CG1' ' A' ' 100' ' ' VAL . 22.0 tt0 -106.98 116.53 32.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.26 132.7 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 t -108.93 101.53 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 31' ' ' LEU . 10.7 mt -95.37 150.21 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -135.23 145.32 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.3 37.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.75 167.07 12.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.81 -47.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.55 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.11 -152.11 46.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 99' ' ' VAL . 20.4 m-85 -103.33 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.99 58.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 1.5 pp -155.72 133.18 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' CYS . 3.0 mm-40 -109.43 126.65 53.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.6 mt -89.57 147.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.477 ' OE1' ' CD1' ' A' ' 48' ' ' LEU . 1.8 tt0 -129.98 122.12 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.36 153.73 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . 41.95 94.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' GLY . 5.8 mt -39.48 -39.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -92.94 168.04 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.34 -57.81 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 41.2 p -67.26 91.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER 166.12 145.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.6 m -66.64 155.42 37.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.423 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 25.3 mt -102.38 109.95 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' OE1' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -72.4 -23.49 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 p -134.52 163.53 50.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 141.23 26.39 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' CD1' ' OE1' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.63 169.83 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 52' ' ' ILE . 20.0 t -83.24 85.72 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -46.1 -59.6 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 20.2 t80 -144.12 170.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.602 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 7.5 mt -141.45 138.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -72.05 139.98 82.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.07 17.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.41 13.04 8.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.69 178.62 2.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -38.67 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -65.3 -25.19 67.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -85.8 -41.47 15.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -53.75 -26.51 23.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -63.29 -28.34 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 -57.84 0.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -31.51 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -83.47 133.17 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 6.6 mt-30 -164.42 175.56 9.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.97 131.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.06 -42.86 1.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.66 150.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.6 mpp_? -106.63 161.35 14.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.7 t -134.18 88.65 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 52.3 mt -55.13 -57.93 9.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.6 p -132.11 167.36 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.537 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 95.7 mt -130.82 110.89 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.411 ' ND2' HG22 ' A' ' 99' ' ' VAL . 0.8 OUTLIER 70.99 8.2 6.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.96 0.88 27.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 89' ' ' LEU . 5.8 mm -98.92 118.43 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.78 118.06 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.3 p -66.65 -23.79 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 44' ' ' SER . 2.8 mm-40 -72.35 -24.68 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -97.3 16.27 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.39 -178.22 19.01 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.3 p -99.78 157.18 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.443 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -37.97 -58.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -48.92 -56.01 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -37.92 -55.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.34 -47.67 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' LEU . 19.6 m-80 -65.48 -61.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -41.36 -35.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.461 HD12 ' CG2' ' A' ' 76' ' ' ILE . 28.8 mt -63.74 -49.06 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.537 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 0.6 OUTLIER -56.46 -28.38 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -62.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.66 -28.43 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.24 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 64.5 mt -60.7 -15.55 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.5 -9.93 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.1 m170 68.21 8.29 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -153.87 158.51 40.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.565 HG13 ' CZ ' ' A' ' 29' ' ' PHE . 9.9 p -161.84 164.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 18' ' ' GLU . 39.8 t -132.47 120.24 41.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -110.11 133.61 53.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -110.99 110.93 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.8 t -98.03 156.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 4.9 tt0 -124.79 129.98 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -161.3 166.75 27.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.7 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -140.62 143.11 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -123.81 142.26 51.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -109.0 121.49 45.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.8 t -114.31 131.87 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.8 t -112.3 109.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 71.5 mt -100.53 141.66 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 113.1 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.3 170.16 32.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 50.4 m-20 -81.09 155.77 72.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.48 ' CB ' ' CD2' ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -33.46 4.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.02 -56.46 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -85.17 -25.46 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 88.69 -125.16 7.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CE2' HG11 ' A' ' 99' ' ' VAL . 24.4 m-85 -127.06 -85.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.89 59.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -155.24 130.66 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -111.12 127.56 55.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.9 mt -88.49 160.5 17.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.67 112.55 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.36 -148.23 4.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.65 177.42 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 mp -89.86 -45.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -82.65 118.61 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.57 -44.8 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -70.57 -168.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' THR . 2.2 mt-10 67.18 108.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 41' ' ' GLU . 17.1 m -39.1 158.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 65.2 mt -100.58 117.37 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -79.18 -22.51 44.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 p -134.27 157.65 77.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 138.01 22.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.91 24.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -91.61 165.38 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.0 t -74.55 96.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 t -57.0 -55.98 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.1 t80 -147.95 168.85 21.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.6 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 79.1 mt -137.24 143.16 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -76.31 140.53 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 125.27 9.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.61 20.02 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.498 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.88 177.64 2.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.051 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.92 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -60.16 -34.61 73.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLY . 4.6 tp10 -78.18 -41.97 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -50.54 -36.06 32.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.417 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 14.8 m -63.27 -28.34 69.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 76.55 -53.84 3.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -43.26 -39.62 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 HD21 ' CD1' ' A' ' 52' ' ' ILE . 2.2 tt -71.94 132.35 44.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 8.1 pt20 -162.27 154.77 19.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.17 136.11 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.9 -35.23 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -45.47 140.85 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.451 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.29 134.39 40.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.1 t -103.62 102.68 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 28.1 mt -72.01 -60.04 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 p -133.41 164.57 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.01 112.31 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 74.03 8.8 4.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.3 5.14 34.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 mm -107.71 120.23 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.42 121.39 19.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.9 p -61.65 -32.11 72.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.11 -15.5 62.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.97 32.35 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.11 -174.18 37.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.4 p -102.14 156.63 17.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.439 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -37.95 -58.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -59.89 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.22 -46.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.96 -51.81 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.439 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.5 m-80 -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -61.88 -40.22 94.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.27 -34.54 70.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.85 -35.05 72.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -58.1 -65.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -48.39 -48.58 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -52.33 -49.06 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.48 ' CD2' ' CB ' ' A' ' 25' ' ' PRO . 40.8 mt -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.6 -9.84 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 66.67 15.34 10.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -153.13 142.17 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 29' ' ' PHE . 6.3 p -150.82 147.7 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.7 t -119.26 126.79 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.77 144.9 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.56 112.24 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.69 145.17 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 5.8 tt0 -109.08 142.19 40.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -179.19 165.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' O ' ' CG2' ' A' ' 16' ' ' THR . 1.8 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 15' ' ' GLU . 3.6 p -157.61 140.54 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -125.97 133.94 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.474 ' HG3' ' CG1' ' A' ' 100' ' ' VAL . 33.4 tt0 -90.52 116.44 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.1 t -103.69 106.31 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.2 t -99.08 112.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -110.98 150.66 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 m -129.98 112.59 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.84 169.24 26.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.93 162.54 57.02 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.425 ' CB ' HD21 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.0 -14.16 21.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -53.92 4.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.1 p -78.09 -25.09 47.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.06 -125.79 7.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CE2' HG12 ' A' ' 99' ' ' VAL . 31.7 m-85 -131.16 11.19 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.61 50.07 25.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -147.43 142.37 26.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -119.18 145.76 45.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.4 mt -105.5 141.42 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.497 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.5 tt0 -113.7 125.28 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.75 -148.87 5.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.21 155.95 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.62 -48.85 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.11 163.1 27.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.59 -49.31 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.2 p -74.77 90.71 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.48 136.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -69.8 158.07 36.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -101.2 111.16 23.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 p -76.29 -25.12 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.3 163.47 50.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 140.85 26.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 158.97 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -113.38 162.63 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 52' ' ' ILE . 25.3 t -65.93 82.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 5.5 t -43.49 -60.49 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.598 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 37.0 t80 -143.56 171.39 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.598 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.1 mt -140.7 140.32 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.28 142.38 35.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 142.7 27.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.771 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.32 15.51 5.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -91.11 178.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -64.8 -25.9 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.0 tp10 -91.92 -38.32 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -33.79 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.53 69.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.078 . . . . 0.0 108.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 69.77 -58.28 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.32 -42.97 43.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 tp -64.81 130.22 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -160.3 156.17 25.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -42.84 132.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.97 -40.56 2.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.57 128.95 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HE ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -83.18 170.13 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -138.75 88.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 43.4 mt -56.05 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.0 p -132.29 165.47 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.497 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 89.4 mt -124.1 110.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.1 6.23 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.93 4.9 25.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.9 mm -106.62 120.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.45 133.93 56.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.0 p -78.18 -13.3 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -84.86 -14.82 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.29 19.94 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.89 155.47 26.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 85' ' ' GLU . 82.3 p -71.8 166.85 21.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.8 tpt -49.21 -22.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.82 -29.28 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -62.86 -47.67 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.68 76.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.03 -52.81 57.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -47.85 -33.82 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.7 -50.77 63.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.497 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -55.03 -36.69 65.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -49.23 -46.42 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 99' ' ' VAL . . . -55.17 -30.08 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.57 74.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 25' ' ' PRO . 66.2 mt -70.66 -14.87 62.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.38 -14.96 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.5 m170 73.83 9.4 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.89 144.31 23.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 29' ' ' PHE . 13.1 p -150.8 148.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.474 ' CG1' ' HG3' ' A' ' 18' ' ' GLU . 45.4 t -121.36 141.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mt -133.31 151.78 51.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.81 111.61 15.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.9 t -93.17 160.27 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 5.6 tt0 -123.06 132.75 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 6.9 p90 -176.57 170.52 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 p -154.91 147.71 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -119.73 136.0 54.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -103.5 119.05 38.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG1' ' SG ' ' A' ' 61' ' ' CYS . 86.5 t -106.74 158.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.7 t -130.01 97.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -88.73 133.21 34.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -119.73 145.2 46.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 108.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.35 178.03 48.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.52 167.17 17.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -14.47 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -105.15 -44.79 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -74.34 -16.22 60.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.53 -141.86 48.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 12.0 m-85 -117.92 -90.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 58' ' ' ALA . . . 149.17 66.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.69 135.4 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -117.21 132.73 56.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.5 mt -95.83 160.17 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -137.07 112.05 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.43 -143.08 3.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.68 179.74 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mm -99.52 -56.68 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -64.6 125.44 24.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.67 -43.51 36.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -72.7 -168.62 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 68.03 116.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -55.53 161.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.5 mt -93.86 123.11 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -26.19 32.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.36 163.32 52.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.08 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.76 38.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -99.09 161.75 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.71 86.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 t -47.11 -56.98 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.3 t80 -149.7 168.61 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 8.3 mt -138.76 140.21 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.06 138.42 72.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.6 19.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 68.85 9.0 7.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.0 178.44 2.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -59.38 -24.47 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.3 -42.07 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -54.96 -23.22 18.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 8.3 t -63.33 -27.88 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.08 -58.61 0.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -40.65 47.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.34 159.09 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 171.81 158.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.4 133.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.44 -41.38 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.55 159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 1.3 mpp_? -117.27 118.29 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.07 112.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 20.0 mt -79.41 -57.22 3.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.1 p -136.89 167.18 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.1 mt -135.55 112.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 74.9 8.66 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.63 -0.68 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.1 mm -102.18 127.67 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.62 131.65 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 p -68.96 -27.15 65.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -67.09 -13.82 62.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.81 32.18 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.77 165.22 38.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.2 p -88.64 160.35 17.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 6.6 tpt -43.31 -42.47 4.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.2 -40.74 78.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -53.45 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.77 -40.82 80.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -67.41 -45.16 76.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.3 mt -52.46 -32.07 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 99' ' ' VAL . 6.6 mt -76.58 -37.61 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -62.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -53.35 -38.54 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.8 93.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.45 -35.62 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.0 -18.67 63.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.38 -9.76 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 70.16 7.34 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.407 ' CE ' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -153.47 156.22 37.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.562 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 10.9 p -156.24 149.65 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.407 HG23 ' CE ' ' A' ' 98' ' ' LYS . 72.7 t -116.89 125.9 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.9 141.57 47.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.09 112.76 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.9 t -100.22 151.5 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 35.6 tt0 -110.57 145.54 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.1 p90 178.39 158.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.475 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.493 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -127.49 131.83 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' CG ' ' CG1' ' A' ' 100' ' ' VAL . 31.3 tt0 -97.91 114.15 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 21' ' ' LEU . 3.3 t -103.69 132.49 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.46 97.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.517 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 2.0 mp -90.66 132.35 35.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 97' ' ' HIS . 49.4 t -121.65 152.55 39.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 -167.04 37.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 166.89 10.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -101.03 -51.16 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -72.33 -30.46 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.7 -141.09 26.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' A' ' 99' ' ' VAL . 12.3 m-85 -117.57 -92.58 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 58' ' ' ALA . . . 147.21 64.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.088 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -155.18 137.95 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -120.1 124.94 47.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 mt -86.81 160.69 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -140.85 111.4 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.06 -156.84 7.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -43.85 142.32 2.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.16 -38.32 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -87.46 153.05 21.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.82 -36.84 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.0 p -82.74 80.36 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.79 123.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.6 m -46.06 157.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 24.0 mt -102.98 119.15 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -88.87 -18.64 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.8 p -134.41 157.03 78.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 136.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.47 32.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.43 166.86 11.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.45 87.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 t -46.7 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 5.8 t80 -145.66 167.92 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.587 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 13.7 mt -137.43 146.45 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.65 139.31 35.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.406 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.3 Cg_endo -74.98 132.58 15.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 2.4 t0 74.81 6.31 4.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.51 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.02 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -57.5 -23.51 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -87.11 -43.15 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -55.27 -18.23 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.517 ' SG ' ' CD1' ' A' ' 21' ' ' LEU . 15.9 m -62.96 -25.81 68.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.32 -61.07 0.6 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.82 -27.62 66.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.515 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 3.8 tp -72.3 136.76 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -167.89 150.32 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 t -43.4 128.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.39 35.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.57 129.31 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.348 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.71 169.14 18.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.44 88.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 53.7 mt -54.09 -63.7 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 p -127.64 167.6 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 101' ' ' LEU . 96.7 mt -134.56 111.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.55 3.18 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -1.1 23.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.7 mm -104.54 126.27 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.763 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.54 130.46 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 50.1 p -72.54 -14.75 61.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -84.01 -19.64 34.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -94.07 43.02 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.15 -171.09 40.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.6 p -102.1 159.72 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.433 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -42.75 -64.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -45.0 -58.96 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -38.99 -45.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.09 78.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' GLU . 13.1 m-80 -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 tp60 -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 mt -49.05 -32.25 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 31' ' ' LEU . 3.1 mt -74.23 -37.27 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -56.5 -59.07 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.08 -41.35 83.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . . . -57.13 -50.01 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -51.62 -40.55 60.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 86.9 mt -62.2 -21.3 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 97' ' ' HIS . . . -81.11 -20.87 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 96' ' ' ALA . 2.3 m170 85.25 -4.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.563 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 152.06 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' A' ' 29' ' ' PHE . 8.2 p -156.42 151.61 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.418 ' CG1' ' CG ' ' A' ' 18' ' ' GLU . 98.9 t -113.71 129.83 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' CD2' HG12 ' A' ' 73' ' ' ILE . 54.2 mt -117.72 143.96 45.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -122.61 113.77 19.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -101.68 161.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 6.6 tt0 -132.44 112.86 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.493 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 2.6 p90 -146.12 167.55 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.4 mp0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -143.5 151.92 40.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.42 ' CG2' HG22 ' A' ' 103' ' ' VAL . 14.8 t -126.69 150.34 49.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -112.8 117.69 32.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.22 129.5 57.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.4 t -114.37 120.61 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 77.4 mt -117.04 144.9 44.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.74 112.94 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.07 -174.95 17.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.69 164.3 19.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.469 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.2 Cg_endo -74.97 -22.21 15.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -54.86 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -74.46 -7.89 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.87 -138.73 44.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 99' ' ' VAL . 10.9 m-85 -115.75 -87.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.45 66.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 2.6 pp -161.12 134.51 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -113.31 131.88 55.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.8 mt -93.95 159.26 15.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 tt0 -139.86 114.88 9.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.87 6.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.5 157.3 0.48 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mt -67.18 -51.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -82.81 136.37 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.2 -44.4 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.4 p -68.47 78.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.47 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -57.1 160.84 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 45.2 mt -109.02 119.49 39.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -25.78 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.434 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 1.5 p -134.37 161.7 62.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.403 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.4 Cg_endo -74.97 139.94 24.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 139.38 24.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -91.21 164.46 13.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 52' ' ' ILE . 27.0 t -75.15 95.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.47 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 108.281 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 6.1 t80 -153.01 167.33 29.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 17.4 mt -136.83 147.18 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.0 OUTLIER -79.06 138.39 56.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.4 Cg_endo -74.95 122.26 7.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 76.34 17.18 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -83.22 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.029 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.95 -43.15 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -58.91 -31.75 68.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 10.3 tp10 -83.08 -37.98 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -53.0 -39.13 62.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 m -63.07 -29.17 70.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 108.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.96 -53.07 2.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' GLY . 5.9 mt -38.1 -52.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 1.1 tp -67.31 143.14 56.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 2.0 mt-30 -168.34 163.42 12.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.65 129.92 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.5 -30.13 9.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.64 173.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.446 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -128.15 122.16 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 69.4 t -91.24 113.5 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.3 mt -80.15 -54.92 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.6 p -142.38 167.42 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.537 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 63.5 mt -129.52 111.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 68.33 13.43 9.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.0 4.23 41.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 89' ' ' LEU . 3.2 mm -99.98 111.43 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 115.08 5.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 p -61.46 -16.46 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 45' ' ' SER . 3.7 mm-40 -82.01 -16.52 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -102.57 24.73 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.22 -162.21 11.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 p -112.82 154.41 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.452 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -38.32 -61.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -56.0 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.91 -55.4 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.14 -49.19 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.452 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.5 m-80 -63.6 -50.24 70.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -50.59 -34.6 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 76' ' ' ILE . 17.0 mt -64.18 -48.14 77.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.537 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -56.81 -28.73 61.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -55.4 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.22 -37.76 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' A' ' 99' ' ' VAL . . . -60.19 -37.21 79.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 14.3 mt -65.42 -12.98 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.5 -10.71 23.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 67.68 9.55 7.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.629 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 140.33 19.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 29' ' ' PHE . 9.2 p -143.62 161.57 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.4 t -134.57 123.94 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -112.74 153.26 28.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -127.95 112.61 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.42 HG22 ' CG2' ' A' ' 17' ' ' THR . 0.5 OUTLIER -102.98 151.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -114.18 144.17 43.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -175.71 159.44 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.05 145.42 47.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -127.56 137.91 52.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -103.69 116.26 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 20' ' ' VAL . 52.3 t -101.13 137.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.4 ' N ' HG12 ' A' ' 19' ' ' VAL . 81.6 t -120.95 109.26 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 43.7 mt -105.5 144.94 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.92 113.17 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.74 -177.99 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.33 166.57 22.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.553 0.796 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.05 -24.31 12.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.36 -47.34 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 t -76.6 -3.05 35.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.14 -116.92 4.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 20.3 m-85 -136.66 -87.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.63 64.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -161.82 132.47 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.3 137.88 47.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.7 mt -99.63 151.72 20.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.7 tt0 -128.22 122.6 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.16 -150.73 5.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.38 162.56 6.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.4 -47.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -74.91 94.17 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.01 -57.62 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -63.54 82.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 175.31 130.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -52.89 158.48 1.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -109.98 113.44 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 m -70.69 -25.61 63.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.65 163.52 50.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.9 25.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.04 23.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.443 1.759 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -90.0 163.72 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -75.02 91.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.423 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -50.56 -61.08 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.9 t80 -145.38 169.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.604 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 94.7 mt -139.12 144.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -77.07 137.44 65.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.2 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 4.2 t0 76.73 12.22 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.64 178.02 2.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.93 -44.19 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -55.86 -37.05 68.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -78.81 -36.84 42.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -54.46 -38.72 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.66 -28.84 70.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.33 -52.36 3.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -44.49 -35.91 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -80.24 127.84 32.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 6.8 mt-30 -156.39 165.72 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.46 135.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.33 -31.76 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -46.22 139.03 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 1.5 mpp_? -98.04 124.86 42.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -94.95 111.12 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 31.2 mt -78.88 -57.56 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 p -135.07 168.3 19.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 76' ' ' ILE . 72.2 mt -139.8 113.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.418 ' ND2' HG23 ' A' ' 99' ' ' VAL . 1.8 m120 75.91 2.82 3.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.4 -2.38 23.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 13.0 mm -101.16 128.95 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.7 131.0 40.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.7 p -70.18 -33.99 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.27 -15.33 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -106.83 38.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.51 -169.62 33.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.5 p -108.13 152.08 25.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.422 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -37.92 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -60.69 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -38.78 -48.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.59 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.422 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 23.8 m-20 -62.38 -46.24 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -58.32 -44.28 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.73 -34.71 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.435 HD23 ' CG2' ' A' ' 99' ' ' VAL . 3.3 mt -72.14 -30.72 65.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -58.93 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.66 -46.87 86.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 99' ' ' VAL . . . -47.57 -45.29 26.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.79 90.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 85.8 mt -62.5 -14.7 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.16 -7.84 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 66.29 12.35 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.643 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.23 143.65 22.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 29' ' ' PHE . 7.8 p -145.18 148.57 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.5 t -119.62 124.49 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -118.43 137.28 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.5 113.38 21.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.61 150.64 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 8.4 tt0 -112.9 143.25 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.3 p90 179.59 168.23 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -153.39 152.02 30.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -127.4 138.65 53.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' CG ' HG13 ' A' ' 100' ' ' VAL . 26.2 tt0 -94.46 117.95 30.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.8 t -102.79 120.84 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t -111.43 115.6 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -112.46 146.92 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.6 115.46 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.83 179.71 22.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.46 166.39 21.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -22.86 14.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -90.94 -46.08 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.81 0.1 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.14 -118.92 4.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 99' ' ' VAL . 10.7 m-85 -131.56 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.26 60.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.71 138.88 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -116.25 130.01 56.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.1 mt -91.9 154.31 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -127.97 113.71 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.73 -145.78 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.44 159.19 5.4 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.2 -47.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -76.46 129.13 36.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.56 -36.4 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -77.7 -167.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.88 115.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 m -54.63 159.88 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -98.84 115.29 28.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -26.62 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.37 163.24 52.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.22 24.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.78 25.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -92.36 162.32 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.1 t -71.92 91.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -54.14 -52.72 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.3 t80 -153.35 167.56 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 28.4 mt -137.0 143.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.4 mt-10 -76.72 142.76 70.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t0 64.58 12.7 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.67 178.22 2.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.01 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.456 1.766 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.11 -26.24 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.31 -43.3 13.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -52.01 -29.97 23.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -63.51 -29.17 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.51 -60.16 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -41.24 -42.13 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.29 144.88 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.7 161.02 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.6 t -53.88 136.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.49 -32.72 6.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.56 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 4.4 mpp_? -128.99 130.92 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.1 t -100.3 107.38 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 24.7 mt -76.67 -58.88 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -139.84 157.75 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.5 mt -127.75 117.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.2 12.22 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 -3.32 42.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.9 mm -95.05 126.98 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.88 127.35 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.8 p -67.39 -24.2 65.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.15 -11.98 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -104.8 37.92 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.07 169.84 41.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.5 p -87.42 169.11 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.354 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.0 tpt -46.3 -46.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -56.02 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.0 -49.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.48 -59.19 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -54.25 -42.39 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -63.62 -42.56 98.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.66 -34.2 73.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.39 -25.55 60.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -70.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -44.31 -41.54 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.53 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.8 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.0 mt -62.98 -13.82 39.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.05 -8.16 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 66.18 10.36 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.41 141.64 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.551 HG13 ' CE2' ' A' ' 29' ' ' PHE . 10.6 p -144.99 163.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.48 HG13 ' CG ' ' A' ' 18' ' ' GLU . 57.5 t -140.14 131.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mt -126.95 151.59 48.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.34 113.4 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.69 149.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 3.1 tt0 -111.09 142.74 42.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -174.69 172.93 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -144.15 141.47 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.404 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 1.9 t -124.96 131.7 53.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.47 ' CG ' HG13 ' A' ' 100' ' ' VAL . 24.7 tt0 -103.37 114.96 29.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.2 136.4 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.18 104.99 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 14.2 mt -98.89 150.37 21.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -131.91 148.48 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.96 -175.29 45.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.59 166.7 14.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.64 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -101.19 -47.75 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -26.35 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.27 -118.85 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 28.7 m-85 -140.46 -89.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.62 65.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -160.78 131.0 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -111.78 133.67 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.6 mt -93.19 163.47 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 tt0 -140.5 111.12 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.87 -160.2 8.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.83 167.72 33.66 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.15 -93.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -44.05 112.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.42 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -64.67 -59.69 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 3.9 p -51.73 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 42' ' ' THR . 1.1 pt-20 163.24 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.554 ' CB ' ' O ' ' A' ' 41' ' ' GLU . 2.4 m 86.47 139.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 mt -79.83 126.09 30.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -22.3 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.75 164.38 44.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.15 18.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 157.77 42.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -105.77 171.53 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 52' ' ' ILE . 17.9 t -81.38 88.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.51 -60.26 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.1 t80 -143.9 170.84 15.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.604 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 48.0 mt -143.31 145.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.9 OUTLIER -77.89 138.4 61.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.13 11.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.88 7.27 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -74.92 178.32 1.83 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -75.04 -41.54 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -62.07 -26.75 68.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -87.14 -34.29 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -61.4 -34.66 75.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.12 -28.56 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.59 -53.75 2.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.5 mt -39.21 -53.93 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 29.4 mt -61.5 153.52 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -179.24 163.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.58 121.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 115.37 -28.56 7.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 67' ' ' GLY . 1.3 m-20 -47.93 173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.488 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.4 mpp_? -127.78 154.37 45.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.56 106.74 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 29.1 mt -75.32 -58.99 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 p -138.31 165.72 26.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' ILE . 32.9 mt -134.2 119.63 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 66.17 11.33 7.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.15 12.55 31.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 3.5 mm -115.33 119.57 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.79 123.75 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -62.43 -26.03 68.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.93 -32.35 61.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -22.08 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.51 -176.27 14.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 39' ' ' ALA . 13.3 p -99.04 177.37 5.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.456 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -52.31 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.56 -41.77 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -44.86 91.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.05 -60.32 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.456 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 17.9 m-80 -51.02 -48.39 61.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.18 -45.95 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.63 -40.22 71.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.37 -41.18 98.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -49.59 -46.55 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.467 ' CB ' HG22 ' A' ' 99' ' ' VAL . . . -49.24 -50.53 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.72 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.17 -14.87 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.76 -5.39 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 65.91 10.75 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' CD ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.33 159.1 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.574 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 9.9 p -159.86 159.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.47 HG13 ' CG ' ' A' ' 18' ' ' GLU . 53.3 t -129.91 129.38 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.77 137.7 53.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -117.85 111.03 18.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.8 t -101.78 155.78 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 22.3 tt0 -119.52 138.37 53.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.404 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 5.8 p90 -176.52 159.85 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -147.96 136.34 21.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 t -111.4 133.97 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -105.58 130.41 53.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.3 t -126.6 131.91 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.03 97.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 1.3 mp -85.6 148.9 25.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.13 107.87 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.9 -178.33 15.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -95.23 166.74 14.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -44.44 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.33 -49.13 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -31.76 64.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 24' ' ' ASP . . . 74.97 -122.33 6.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 41.3 m-85 -130.69 -88.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 58' ' ' ALA . . . 145.61 58.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -149.2 145.01 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -124.12 129.21 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 mt -90.99 155.57 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -132.57 115.13 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.76 -141.41 3.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.33 167.18 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 mp -79.28 -49.45 19.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.78 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -77.1 165.18 24.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.11 -49.31 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 p -74.22 78.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.48 128.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -58.69 159.19 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.4 mt -106.56 120.07 40.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -23.88 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.17 163.32 52.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.99 21.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.11 31.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -96.37 166.18 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 64' ' ' LEU . 51.6 t -75.6 94.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.63 -55.69 26.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.7 t80 -148.87 171.04 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.602 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 9.8 mt -141.57 139.28 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.37 143.11 75.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.35 26.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.09 15.45 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.53 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.56 179.76 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.53 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -52.1 -25.45 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 tp10 -91.99 -46.23 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -51.11 -29.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' LEU . 4.3 t -63.0 -28.12 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 68.57 -58.98 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -51.54 -33.67 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.444 ' CD2' HG23 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -83.57 131.28 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -161.11 159.73 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.62 130.71 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.26 -35.91 4.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.56 144.9 5.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -96.67 148.27 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.9 t -121.25 98.45 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.437 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 67.0 mt -67.08 -61.25 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.4 p -129.71 168.06 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 97.9 mt -137.64 112.31 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.2 t-20 76.85 2.07 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 2.15 24.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.06 123.18 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.42 140.56 58.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -83.55 -33.79 25.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.41 -11.97 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -108.39 32.84 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -162.85 -169.27 26.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -108.38 164.17 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.3 tpt -46.69 -63.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.9 -56.28 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.47 -45.04 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.15 -54.01 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -59.75 -39.64 85.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.16 -44.1 80.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.71 -38.23 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 99' ' ' VAL . 6.8 mt -66.99 -33.96 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.7 OUTLIER -61.24 -68.9 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -43.48 -40.07 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.14 86.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -57.02 -43.64 82.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.08 -15.79 57.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.62 -8.31 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 63.95 19.0 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.67 150.48 28.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.565 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 8.6 p -161.75 146.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 t -116.0 123.94 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.38 129.81 55.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.14 110.8 18.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.4 t -96.79 155.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.437 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 19.8 tt0 -114.13 140.17 48.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.1 p90 179.84 176.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 p -154.66 140.84 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -126.34 137.53 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 100' ' ' VAL . 30.7 tt0 -96.16 118.65 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.8 t -110.79 117.98 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.8 t -103.64 104.43 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 47.8 mt -97.69 142.17 29.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.05 114.28 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.88 176.39 23.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.2 m-20 -82.14 161.37 60.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.436 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.4 Cg_endo -74.93 -19.31 18.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.97 -51.49 7.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -17.29 47.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 75.51 -121.59 6.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.579 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 27.3 m-85 -130.81 4.82 4.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.29 57.03 21.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -148.49 151.07 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -131.62 129.17 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -95.63 157.22 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 tt0 -133.92 113.82 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.01 -156.99 7.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.88 163.87 0.65 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.23 -48.87 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -71.88 95.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.34 -38.58 28.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.1 p -84.07 75.36 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.27 128.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.7 m -44.78 159.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.7 mt -108.77 115.7 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -76.5 -23.99 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.62 162.83 55.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -74.98 140.44 25.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.94 25.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.534 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 1.4 mt -96.7 170.73 8.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 52' ' ' ILE . 42.3 t -82.67 93.64 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.4 t -52.85 -54.35 35.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.8 t80 -151.76 170.67 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.593 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 97.5 mt -139.58 140.88 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.0 mt-10 -77.16 138.86 64.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 131.62 14.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 2.1 t70 72.07 9.08 6.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.47 179.19 1.98 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.99 -43.95 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -61.0 -23.85 65.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -90.45 -35.5 15.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.428 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -54.19 -32.5 55.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -28.3 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.271 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.86 -58.59 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.33 -29.84 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -82.63 128.98 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.09 152.99 31.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.3 t -45.15 135.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.04 -40.35 2.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -40.8 139.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.534 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.38 129.5 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 54.8 t -97.25 114.74 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.46 -56.62 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 p -137.82 171.38 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.534 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 90.6 mt -134.07 113.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 68.78 10.06 7.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.17 2.61 33.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 4.4 mm -100.26 128.1 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 125.49 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -73.19 -19.84 61.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.88 -18.04 54.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -99.38 25.0 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.18 -168.43 20.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.4 p -105.92 159.62 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.454 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -44.5 -59.99 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -57.79 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.55 -55.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.88 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 23.5 m-20 -63.07 -48.37 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -52.27 -35.47 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.32 -47.33 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.534 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -57.65 -33.81 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -67.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -52.85 -29.8 30.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.67 61.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.92 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 29.2 mt -66.57 -13.41 61.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.78 -19.93 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 1.5 m170 79.43 12.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -152.66 141.73 21.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.579 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 9.3 p -153.18 137.71 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.473 HG13 ' CG ' ' A' ' 18' ' ' GLU . 39.5 t -109.92 142.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.41 151.75 49.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.48 111.28 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.4 t -93.12 158.94 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.34 135.33 54.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -174.75 -178.17 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.16 138.86 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.503 ' HB ' ' CE2' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -125.01 135.23 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -105.16 119.65 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.06 140.56 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -120.79 101.44 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 54.1 mt -93.05 144.48 25.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -129.08 112.84 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.19 15.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.57 163.14 21.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -14.78 21.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.46 -50.12 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.68 6.16 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 44.53 -125.69 6.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 99' ' ' VAL . 30.6 m-85 -126.19 -86.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.3 69.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -164.57 141.28 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.75 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.96 131.4 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 73' ' ' ILE . 24.2 mt -93.94 153.67 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.9 tt0 -139.35 111.91 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' CA ' ' SD ' ' A' ' 83' ' ' MET . . . -156.68 139.53 6.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.71 -160.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.485 ' CG1' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -125.06 -77.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' N ' ' CG1' ' A' ' 37' ' ' ILE . 84.5 m-85 -51.6 127.63 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.15 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 -168.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.499 ' O ' ' CG2' ' A' ' 82' ' ' THR . 1.5 mt-10 77.72 -145.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -145.58 155.86 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -94.0 114.17 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -82.34 -24.5 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.67 163.88 48.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 138.5 22.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' CB ' ' HE1' ' A' ' 83' ' ' MET . 18.4 Cg_endo -75.0 138.52 23.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -87.06 165.24 15.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' A' ' 52' ' ' ILE . 28.1 t -77.29 86.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 t -45.41 -62.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 10.2 t80 -138.89 170.46 15.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.602 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 7.2 mt -140.73 143.93 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.8 mt-10 -77.6 144.11 68.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.62 15.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 63.16 13.73 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -75.47 175.55 4.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -40.53 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -60.42 -30.03 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.7 tp10 -88.89 -40.47 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -50.19 -41.09 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 24.9 m -63.54 -29.67 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 108.369 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 78.85 -47.33 3.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.4 mm? -37.9 -58.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 20.8 mt -62.24 154.08 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 2.5 mt-30 -178.3 162.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.4 t -63.45 125.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 18.83 24.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 65' ' ' GLN . 4.5 m-20 -107.66 120.06 41.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 1.7 mtt180 -76.15 141.93 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.458 HG13 ' CG1' ' A' ' 73' ' ' ILE . 28.2 t -109.17 99.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 104' ' ' GLU . 55.5 mt -57.61 -61.61 2.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 p -134.08 166.69 22.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.458 ' CG1' HG13 ' A' ' 70' ' ' VAL . 73.0 mt -135.91 112.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.2 t-20 76.64 1.83 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.2 -0.06 23.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 mm -104.26 127.03 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.6 128.01 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.9 p -68.18 -23.3 64.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -71.1 -14.69 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -108.38 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.76 -159.59 21.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 41' ' ' GLU . 1.4 p -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.465 ' HE1' ' CB ' ' A' ' 47' ' ' PRO . 9.5 tpt -64.38 -44.56 90.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -53.36 55.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -51.31 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.54 -44.33 56.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -69.92 -39.31 76.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -64.9 -40.5 95.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.0 mt -56.45 -35.42 67.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.437 HD22 ' CG2' ' A' ' 99' ' ' VAL . 3.8 mt -69.92 -33.79 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -61.7 -67.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -44.88 -42.14 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.442 ' CB ' HG21 ' A' ' 99' ' ' VAL . . . -57.91 -41.81 83.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -58.37 -35.54 72.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 27.7 mt -70.31 -14.09 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.69 -20.15 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 4.6 m170 79.4 6.01 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -153.13 137.99 17.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 29' ' ' PHE . 10.9 p -141.1 143.27 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.9 t -111.92 127.88 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.74 145.82 46.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -125.03 115.68 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.6 t -103.35 157.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' CG ' HD11 ' A' ' 71' ' ' LEU . 7.4 tt0 -122.83 118.11 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.503 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 5.8 p90 -159.08 167.51 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -132.98 136.8 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 t -115.42 141.18 48.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -104.66 120.41 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.426 ' CG1' ' SG ' ' A' ' 61' ' ' CYS . 78.9 t -106.83 156.74 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.64 97.41 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -85.58 135.32 33.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -120.18 144.18 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.92 45.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 167.24 10.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.38 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -104.97 -45.07 4.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -80.47 -8.17 59.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.4 -148.59 6.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 99' ' ' VAL . 10.9 m-85 -108.34 -90.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 58' ' ' ALA . . . 144.26 76.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -166.68 137.83 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -114.41 137.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 HD23 ' CD1' ' A' ' 31' ' ' LEU . 46.5 mt -107.44 150.67 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -127.51 113.88 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.241 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.89 -155.62 6.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.7 -178.17 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' PHE . 17.8 mm -94.53 -81.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' ILE . 93.9 m-85 -37.36 98.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.31 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.2 p -87.21 85.14 7.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -175.79 129.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.4 m -51.3 155.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.441 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.6 mt -104.2 110.96 23.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.7 p -73.22 -23.53 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.4 163.57 50.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.401 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.3 Cg_endo -74.96 139.8 24.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 70' ' ' VAL . 18.4 Cg_endo -75.01 144.49 30.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.66 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -96.63 162.63 13.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.477 ' CG1' HG13 ' A' ' 52' ' ' ILE . 10.1 t -79.05 82.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' VAL . 3.9 t -41.57 -61.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 3.8 t80 -146.7 167.14 24.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.603 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 77.2 mt -133.9 142.66 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.48 138.58 63.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.85 20.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.1 7.4 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.502 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -81.92 178.82 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -44.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -57.97 -28.36 64.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.21 -40.91 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -25.03 61.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.426 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.2 t -63.37 -27.07 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.38 -57.84 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -39.54 71.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 133.85 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -159.59 176.36 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.0 136.92 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 72.65 42.42 47.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.507 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -94.78 -12.69 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.55 113.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.7 t -97.03 116.46 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 15.6 mt -81.17 -56.16 4.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -146.27 167.02 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt -135.9 112.99 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 0.9 OUTLIER 69.43 15.53 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.98 5.34 53.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.425 ' CG2' HD13 ' A' ' 89' ' ' LEU . 3.2 mm -101.1 113.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.8 113.55 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 p -59.16 -29.33 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.46 -12.41 61.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -110.7 27.93 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.17 -171.96 21.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.2 p -107.32 155.36 20.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.4 tpt -40.38 -57.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -58.29 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.99 -47.11 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.81 -50.99 69.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.28 -46.16 84.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -59.48 -36.63 76.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.425 HD13 ' CG2' ' A' ' 76' ' ' ILE . 30.2 mt -61.2 -38.5 86.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 mt -68.58 -37.46 79.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -59.55 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -45.16 -52.66 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.523 ' CB ' ' CG2' ' A' ' 99' ' ' VAL . . . -47.39 -45.4 25.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.49 -41.43 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.5 mt -62.92 -15.71 56.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.86 -6.67 38.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 67.54 9.33 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.548 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.56 152.41 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.563 HG13 ' CE2' ' A' ' 29' ' ' PHE . 7.0 p -157.1 143.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 74' ' ' ASN . 22.9 t -112.52 131.42 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.22 162.21 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -137.62 111.61 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -102.99 156.82 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -119.98 143.46 48.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -178.54 166.54 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -131.79 134.96 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -125.16 144.37 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' HG3' ' CG1' ' A' ' 100' ' ' VAL . 25.9 tt0 -99.07 116.81 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' SG ' ' A' ' 61' ' ' CYS . 20.2 t -107.39 108.43 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -91.97 103.04 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.2 mt -94.66 148.58 22.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.04 110.9 10.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.61 -179.71 16.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.19 166.51 17.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.437 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.5 Cg_endo -75.0 -19.91 17.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.18 -54.43 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -69.49 -11.75 61.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.91 -144.56 41.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 37.2 m-85 -102.41 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.442 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 144.36 69.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -167.13 138.29 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -105.03 157.59 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -121.8 142.36 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -119.72 119.33 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.52 -150.83 5.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.84 165.88 0.44 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -80.76 -49.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.06 153.32 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.02 14.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.5 p -98.3 66.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.25 127.46 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 43' ' ' LEU . 16.8 m -48.8 165.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.409 ' N ' HG23 ' A' ' 42' ' ' THR . 23.2 mt -114.65 108.45 16.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.57 -23.21 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 163.39 51.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.06 140.93 25.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 143.36 28.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.656 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -95.49 164.11 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.504 ' CG1' ' CG1' ' A' ' 52' ' ' ILE . 18.1 t -79.75 78.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' VAL . 1.7 t -40.83 -60.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 19.0 t80 -141.23 165.93 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.531 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 50.6 mt -133.57 139.31 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 3.1 mt-10 -76.77 136.89 66.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.54 23.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 65.89 11.52 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -84.48 178.82 2.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.97 -45.19 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -55.76 -34.46 65.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -76.76 -43.57 36.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -50.87 -27.19 6.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -63.25 -29.31 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.266 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.34 -60.81 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.94 -20.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -85.04 141.59 30.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -164.3 178.57 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.32 133.71 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 78.24 44.91 10.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.49 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.3 OUTLIER -96.89 -13.09 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.62 112.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 53.1 t -95.91 117.02 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 19.1 mt -82.85 -56.45 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 p -141.38 155.89 45.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.044 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 72.4 mt -125.18 111.13 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.6 t-20 75.6 5.28 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 -5.78 26.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 mm -94.83 121.72 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.84 123.82 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.0 p -67.24 -35.68 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.64 -20.17 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.37 47.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.19 172.67 43.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' GLU . 62.9 p -94.91 155.18 16.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 0.742 . . . . 0.0 110.358 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.2 tpt -41.44 -34.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -44.84 62.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' THR . 28.5 mt-10 -46.85 -46.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -56.03 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -55.95 -44.78 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -59.98 -51.79 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -48.65 -49.28 38.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.22 -38.94 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -66.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.81 -40.1 83.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . . . -52.59 -41.14 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 42.0 mt -58.71 -16.88 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.15 -15.89 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.6 m170 69.04 7.86 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.61 140.38 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.58 HG11 ' CZ ' ' A' ' 29' ' ' PHE . 9.8 p -153.23 146.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.414 ' CG1' ' HG3' ' A' ' 18' ' ' GLU . 5.8 t -106.61 116.21 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -103.78 131.44 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -111.11 111.16 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -96.86 160.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 3.4 tt0 -133.41 115.07 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -155.8 175.16 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -148.74 142.94 26.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.53 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -133.7 129.93 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' CG ' HG12 ' A' ' 100' ' ' VAL . 37.8 tt0 -95.06 115.51 27.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 t -106.68 133.6 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -112.64 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.432 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -86.22 140.48 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.24 125.14 36.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.62 167.64 39.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.98 161.69 67.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.465 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.02 -16.67 20.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -55.8 5.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -78.65 -30.39 46.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 -120.32 6.33 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CE2' HG11 ' A' ' 99' ' ' VAL . 10.1 m-85 -138.84 14.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 47.01 57.12 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -149.19 145.35 27.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -125.59 125.91 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 mt -91.27 155.69 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -142.66 111.78 6.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.27 -152.75 7.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.55 -171.68 0.1 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt -93.19 -32.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.2 127.18 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . . . -85.47 -55.36 4.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -37.98 -31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' ALA . 2.0 mm-40 -88.2 141.56 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -49.04 170.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 15.0 mt -108.56 110.0 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -24.61 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.1 p -134.53 158.31 75.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.59 29.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.6 25.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -96.15 166.84 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.6 t -76.75 87.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -48.28 -54.42 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.337 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.3 t80 -152.69 169.76 21.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.567 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.2 mt -139.4 140.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 2.3 mt-10 -78.76 142.72 61.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 138.41 22.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.21 9.93 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.524 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -86.91 179.58 1.73 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -60.31 -24.38 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.87 -40.67 11.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.01 -26.06 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' LEU . 3.7 m -62.91 -27.46 69.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.18 -60.68 0.4 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.71 -29.17 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.537 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 8.8 tp -71.2 130.49 41.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -154.5 164.93 37.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.59 134.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.56 -24.9 14.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.449 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 16.8 m-20 -55.74 123.48 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -80.58 140.72 35.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.8 t -106.69 102.06 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 13.1 mt -69.41 -60.5 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 p -134.78 171.74 13.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.511 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 96.3 mt -134.29 111.63 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.11 6.87 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.42 -0.75 26.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 73' ' ' ILE . 5.6 mm -98.97 126.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.24 132.89 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.8 p -81.07 -30.83 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.59 -14.79 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.09 39.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.88 -165.44 31.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 p -100.83 168.73 9.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.462 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.81 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -42.47 33.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -45.35 28.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.6 92.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.451 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.0 m-80 -63.69 -54.09 41.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -47.4 -35.52 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.51 -51.81 63.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.511 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 1.0 OUTLIER -53.4 -36.26 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.69 -71.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -46.29 -39.45 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.464 ' CB ' HG21 ' A' ' 99' ' ' VAL . . . -61.68 -42.42 98.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -58.75 -34.67 71.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 25.3 mt -73.76 -5.94 43.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.75 -14.67 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 8.2 m170 71.72 11.84 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.569 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.41 150.29 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.573 HG11 ' CE2' ' A' ' 29' ' ' PHE . 11.0 p -160.35 145.78 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.481 HG12 ' CG ' ' A' ' 18' ' ' GLU . 97.5 t -114.08 130.85 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -124.19 145.73 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.51 115.22 24.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 68' ' ' ASP . 1.5 t -106.56 141.89 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 2.3 tt0 -110.58 122.17 47.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.53 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 5.3 p90 -160.56 159.79 31.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -131.31 141.52 49.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.467 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -125.95 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -100.84 121.0 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.4 t -112.43 124.09 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.92 124.03 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 21.6 mt -114.93 155.77 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 97' ' ' HIS . 54.0 t -135.54 151.58 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.98 -179.65 45.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 166.31 17.02 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.451 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.0 Cg_endo -75.01 -14.52 21.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -95.56 -55.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 m -72.89 -19.41 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.3 -116.13 7.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CE2' HG11 ' A' ' 99' ' ' VAL . 14.5 m-85 -135.11 -88.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.45 66.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.476 ' CD1' HD22 ' A' ' 33' ' ' LEU . 1.3 pp -151.69 146.95 26.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -123.48 120.86 34.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 31' ' ' LEU . 75.9 mt -84.67 169.64 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -145.94 120.92 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.82 -158.32 9.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -37.47 151.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.76 -58.16 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -70.2 152.46 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.98 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.89 90.54 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.69 116.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.6 m -47.71 149.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.8 mt -102.06 115.55 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -19.66 53.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.55 164.2 45.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 134.83 18.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 159.13 41.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -119.43 172.2 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.501 ' CG1' ' HA ' ' A' ' 66' ' ' VAL . 41.1 t -86.1 136.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.416 ' C ' ' HB ' ' A' ' 66' ' ' VAL . 14.2 t -101.26 -32.54 10.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 108.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -162.46 159.06 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 65' ' ' GLN . 9.0 mt -132.31 122.66 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.72 140.97 85.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.86 27.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.43 13.54 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -86.8 179.1 1.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.97 -39.22 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -29.45 70.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.12 -41.62 25.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -51.64 -27.51 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.9 m -63.58 -28.33 69.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.69 -56.03 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -34.05 76.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -67.39 135.2 52.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.452 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 3.0 pt20 -178.29 146.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.501 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 0.1 OUTLIER -36.22 147.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 66' ' ' VAL . . . 89.2 13.73 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 65' ' ' GLN . 37.8 m-20 -112.93 121.41 44.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.484 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 4.8 mtp180 -67.78 164.6 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.461 ' CG1' ' CG1' ' A' ' 73' ' ' ILE . 10.8 t -139.31 78.79 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 22.1 mt -39.11 -67.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -128.17 169.55 14.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.461 ' CG1' ' CG1' ' A' ' 70' ' ' VAL . 94.5 mt -135.77 110.64 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.8 OUTLIER 75.64 4.22 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 -1.75 24.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -99.51 128.96 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.13 124.82 27.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 p -74.52 -19.56 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.92 -16.16 59.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -107.33 30.83 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.56 -175.49 27.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 p -100.77 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 0.807 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.417 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -46.1 -59.79 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.25 -55.81 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.63 -55.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.98 -49.02 42.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.417 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 22.5 m-80 -63.92 -39.75 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.5 -44.51 90.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.4 mt -52.73 -39.62 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 31' ' ' LEU . 4.7 mt -65.95 -28.45 68.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -60.37 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -53.62 -31.67 48.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 99' ' ' VAL . . . -66.8 -42.46 85.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.83 78.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 33.2 mt -59.82 -16.06 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 97' ' ' HIS . . . -95.48 -6.91 39.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.402 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 17.3 m-70 67.8 7.68 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -154.37 162.17 41.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.582 HG11 ' CE2' ' A' ' 29' ' ' PHE . 9.0 p -160.66 167.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 101' ' ' LEU . 79.9 t -138.26 141.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.418 ' N ' HG13 ' A' ' 100' ' ' VAL . 12.5 mt -130.51 149.48 52.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -125.76 114.56 18.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.73 148.38 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.484 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 11.7 tt0 -119.54 124.67 46.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.467 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 2.3 p90 -154.08 -176.71 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -136.59 141.32 43.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.496 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 1.2 t -122.17 127.22 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -103.55 122.73 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.5 t -122.55 133.62 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -100.94 97.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.42 148.53 23.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.52 108.39 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.243 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.35 -179.68 16.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -94.63 158.5 35.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -14.73 21.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -53.01 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.61 -122.59 6.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.648 ' CZ ' ' CG1' ' A' ' 99' ' ' VAL . 28.8 m-85 -130.55 11.4 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.54 59.53 5.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -158.05 140.54 14.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.409 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -113.53 128.1 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 76.5 mt -101.88 131.2 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -105.35 123.37 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.21 -169.32 12.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -39.09 147.76 0.13 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.94 -45.73 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.05 111.28 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.24 -40.97 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.0 p -69.91 -166.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 64.37 127.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -51.39 155.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 mt -91.54 107.12 18.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -25.35 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 163.66 49.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.76 30.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 142.93 28.46 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -106.43 159.44 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 66' ' ' VAL . 31.2 t -71.66 138.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.61 -47.89 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -145.03 157.22 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 59' ' ' GLU . 11.2 mt -134.64 126.57 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.52 146.01 99.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.24 21.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.95 12.4 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.67 -179.89 1.67 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -56.13 -23.27 33.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 9.9 tp10 -91.96 -43.51 9.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.37 -35.29 37.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 t -63.6 -28.57 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.11 -59.71 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.26 -41.95 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.99 131.38 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.91 168.94 25.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.479 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 72.3 t -61.99 131.29 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.73 -29.14 9.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.26 174.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 1.5 mpp_? -123.32 160.78 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.0 t -135.43 95.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 25.2 mt -67.28 -60.15 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 p -130.82 161.42 31.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.026 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 93.3 mt -133.58 113.62 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.504 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 1.3 t-20 71.79 8.28 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.27 5.64 34.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.1 mm -107.6 120.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.15 125.29 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.0 p -65.65 -28.33 69.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.33 -12.48 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -105.53 36.79 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.67 165.69 37.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.9 p -87.4 159.98 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.447 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -38.12 -59.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -48.13 -52.74 19.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.32 -40.11 11.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.18 -50.0 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.447 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 21.9 m-80 -61.9 -35.44 78.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -71.22 -45.17 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.83 -27.99 46.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' A' ' 29' ' ' PHE . 6.3 mt -78.18 -33.78 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -51.31 -41.8 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.504 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -64.82 -29.14 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.64 -30.14 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.5 mt -75.86 -6.8 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.23 -17.54 16.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.3 m170 74.28 8.3 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -153.35 137.89 16.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.648 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 12.8 p -149.77 156.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.96 127.88 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.5 OUTLIER -115.01 134.75 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.07 110.94 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.1 t -105.87 146.29 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.49 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.0 tt0 -114.62 129.28 56.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.496 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 1.8 p90 -155.13 172.12 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -109.07 83.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.5 128.07 34.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.78 149.17 47.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.01 156.69 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -176.62 162.56 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.61 -73.43 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.83 -144.13 3.9 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.99 -141.43 17.03 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -156.48 161.26 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 pp -73.0 151.71 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.0 m -54.75 136.64 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -72.37 -19.1 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.6 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -132.77 158.77 41.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' O ' ' CG2' ' A' ' 16' ' ' THR . 1.5 mm-40 -104.3 173.33 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 15' ' ' GLU . 13.2 p -157.07 161.06 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.401 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 5.2 t -135.67 135.92 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -95.58 117.14 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 50.9 t -103.05 110.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.413 ' CG1' ' HE3' ' A' ' 98' ' ' LYS . 62.6 t -95.82 112.09 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 15.9 mt -109.21 148.87 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -133.85 146.03 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 108.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.32 177.6 47.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -89.43 165.4 25.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.5 Cg_endo -74.93 -16.05 20.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.059 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.08 -55.9 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -12.93 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.29 -127.38 42.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CE2' HG13 ' A' ' 99' ' ' VAL . 11.3 m-85 -123.9 -88.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.45 69.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -163.84 145.55 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -121.68 134.1 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.43 153.5 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.1 tt0 -128.33 123.28 33.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.29 -152.92 6.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.53 158.13 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -70.63 -48.24 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.1 153.47 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.0 -52.61 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.9 p -68.31 77.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.93 137.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.421 ' N ' HG22 ' A' ' 82' ' ' THR . 23.9 m -59.78 163.19 4.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' N ' HG21 ' A' ' 42' ' ' THR . 77.6 mt -112.01 118.83 36.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.6 m -78.36 -24.44 46.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.34 163.34 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.43 22.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.78 31.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.764 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -97.1 166.03 11.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 52' ' ' ILE . 23.9 t -73.65 82.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -42.15 -57.89 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 8.5 t80 -150.98 167.76 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.596 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 42.7 mt -136.63 145.56 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.5 mt-10 -81.79 138.28 46.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.77 14.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.8 11.82 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -82.76 178.06 2.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.1 Cg_endo -75.03 -39.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -63.7 -28.77 70.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -81.88 -38.04 25.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -54.4 -29.67 49.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 108.307 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.82 -59.89 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -44.03 -36.55 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.2 144.06 38.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.43 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 13.9 pt20 -170.83 164.44 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.04 131.98 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.42 -36.54 4.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -46.62 170.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.475 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -123.08 156.3 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.26 93.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 38.3 mt -62.74 -62.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.9 p -134.36 169.16 17.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.442 ' CG2' ' OD1' ' A' ' 74' ' ' ASN . 67.5 mt -133.74 111.65 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.442 ' OD1' ' CG2' ' A' ' 73' ' ' ILE . 0.9 OUTLIER 68.73 12.02 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.3 -1.46 32.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.88 116.71 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.78 136.9 56.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.6 p -82.93 -28.66 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.0 -18.93 61.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -103.97 33.03 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.13 -172.45 25.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 42' ' ' THR . 71.2 p -108.55 151.17 26.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.373 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.445 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -37.51 -58.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -47.72 -57.17 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -43.71 -48.19 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.62 -50.96 68.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.445 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.7 m-20 -62.77 -46.48 87.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -60.01 -39.86 87.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.09 -28.83 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 mt -78.05 -29.14 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -58.11 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -52.3 -39.97 61.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 99' ' ' VAL . . . -60.93 -44.26 97.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.12 76.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 52.7 mt -61.34 -16.41 45.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.62 -13.8 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.6 m170 74.19 7.98 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HE3' ' CG1' ' A' ' 20' ' ' VAL . 4.2 tttt -153.31 148.81 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.57 HG13 ' CE2' ' A' ' 29' ' ' PHE . 4.8 p -149.93 156.31 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.5 t -132.86 123.72 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -114.89 148.88 38.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.69 117.15 27.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.4 t -102.08 152.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 6.2 tt0 -110.44 145.41 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.401 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 25.8 p90 178.44 163.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -104.89 94.03 5.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t -53.72 100.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.25 -158.64 20.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 75.75 3.59 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -88.07 86.57 7.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -77.1 155.31 32.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -157.83 -58.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -43.6 144.85 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.01 170.2 41.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -131.79 166.06 22.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.48 128.14 54.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.17 170.07 13.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.23 -109.36 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.97 120.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -138.84 133.05 31.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.343 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp 65.63 126.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 t 58.85 106.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -175.16 106.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.536 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -49.04 157.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.11 146.69 26.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -138.15 155.75 48.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -133.52 152.14 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' HG3' ' CG1' ' A' ' 100' ' ' VAL . 12.7 tt0 -114.93 117.79 31.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.57 127.87 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -107.12 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 14.0 mt -99.84 141.63 32.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.7 148.44 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.284 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.84 178.51 46.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.49 165.41 38.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.445 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.0 -14.93 20.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.52 -49.25 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -76.37 -31.66 58.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.25 -126.19 7.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' A' ' 99' ' ' VAL . 11.8 m-85 -135.43 12.56 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.1 55.1 20.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -149.48 142.25 24.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 0.794 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -124.87 135.76 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.85 158.61 15.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.0 114.53 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.75 -147.32 4.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.29 177.91 0.43 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.0 mm -86.19 -48.38 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -83.41 114.92 21.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.37 -46.14 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -67.14 -167.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 67.71 127.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.3 m -52.43 157.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -99.33 115.09 28.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -73.45 -28.14 61.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.5 162.83 55.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 142.94 28.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.92 34.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.019 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -103.63 167.75 9.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -75.56 99.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.3 -53.11 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.339 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 24.9 t80 -151.2 169.35 22.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.575 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 27.1 mt -142.04 141.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -78.93 143.56 62.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 131.27 14.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.69 9.21 7.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -76.4 178.62 1.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.96 -39.41 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -63.64 -25.43 68.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 6.1 tm-20 -90.19 -36.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -37.18 70.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.1 m -63.49 -28.33 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.256 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.11 -54.94 2.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLY . 8.1 mt -40.02 -57.1 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.89 139.19 54.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -170.33 151.06 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.8 t -47.74 127.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.36 -39.44 2.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -45.12 166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -118.36 158.05 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -130.2 94.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 35.9 mt -60.49 -62.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 p -128.78 169.88 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.532 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 92.6 mt -130.84 110.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.65 7.34 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.88 -0.32 25.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mm -98.64 120.27 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 122.7 19.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.1 p -69.51 -26.57 64.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.06 -15.66 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -100.91 40.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.07 -170.82 42.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.0 p -103.69 160.46 14.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.431 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.454 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -37.9 -58.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -42.49 -58.56 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -38.35 -51.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.14 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 14.9 m-20 -62.92 -55.87 22.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -46.09 -34.21 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.9 mt -66.54 -49.48 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.532 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -55.13 -36.11 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.94 -68.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -49.7 -36.03 23.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -66.06 -37.88 86.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 53.8 mt -66.37 -16.88 64.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.92 40.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.3 m170 67.88 11.36 8.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.62 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.27 153.21 32.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.566 HG12 ' CD2' ' A' ' 29' ' ' PHE . 12.3 p -161.48 144.15 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 18' ' ' GLU . 63.6 t -114.19 133.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.31 145.08 47.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 111.64 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.4 t -99.77 155.4 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 3.9 tt0 -121.35 136.81 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -169.58 179.8 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.48 9.66 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.3 t 62.23 89.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.048 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.23 134.65 2.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.05 2.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.2 p -61.65 116.4 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.3 m 63.28 147.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.969 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.7 158.88 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -154.25 170.39 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.67 65.7 1.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -140.32 170.51 15.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.777 . . . . 0.0 110.039 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -40.26 103.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 -98.04 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.76 -92.5 0.47 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.95 -159.1 8.04 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -122.43 66.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.3 tt -45.62 139.0 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.519 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 13.8 p -160.6 156.65 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 12' ' ' VAL . 28.2 p80 49.98 -177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.61 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.0 m -50.49 177.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.389 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -113.68 170.95 7.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -152.9 134.2 14.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 t -114.97 131.95 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.422 ' CG ' HG12 ' A' ' 100' ' ' VAL . 18.7 tt0 -98.42 118.24 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 51.5 t -107.1 134.92 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -115.02 107.12 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 21.7 mt -101.5 147.33 26.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.77 145.78 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.15 -172.77 42.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.38 166.39 13.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.444 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.01 -16.64 20.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.87 -47.63 5.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -82.22 -1.47 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.16 -117.97 3.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 99' ' ' VAL . 26.9 m-85 -134.44 -89.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.33 56.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -150.69 141.4 22.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -119.38 130.04 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.6 mt -88.11 156.66 19.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.0 tt0 -141.38 109.54 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -127.56 -155.86 8.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . -134.71 -175.23 13.77 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 36' ' ' GLY . 1.2 mp 59.01 156.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -43.28 150.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.75 -38.5 7.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 1.2 t -106.13 99.47 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' CB ' ' O ' ' A' ' 40' ' ' THR . 0.8 OUTLIER 166.74 137.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.412 ' N ' HG21 ' A' ' 82' ' ' THR . 50.9 m -42.88 151.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.2 mt -104.56 126.69 51.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.1 p -76.84 -27.88 55.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.493 ' CA ' ' OE1' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -134.62 163.33 51.99 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.54 24.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.45 33.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -107.65 171.03 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.474 ' CG1' HG13 ' A' ' 52' ' ' ILE . 37.6 t -75.57 98.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.58 -52.06 67.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.4 t80 -149.6 169.82 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 81.1 mt -139.31 141.6 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' HG21 ' A' ' 52' ' ' ILE . 1.9 mt-10 -80.44 138.08 51.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.83 14.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.61 11.76 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -85.34 178.05 2.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.97 -40.34 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -63.31 -22.77 67.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -88.62 -38.15 15.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.44 -24.84 65.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.57 -28.09 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 -57.77 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.58 134.51 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 26.4 pt20 -167.31 154.77 8.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.7 t -45.27 130.98 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.75 -33.12 5.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.59 132.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 4.7 mtp180 -85.41 163.66 18.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.41 88.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 50.7 mt -58.11 -59.41 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.1 p -130.83 164.82 24.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 67.3 mt -134.78 111.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.3 t-20 76.47 2.06 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.06 -3.52 20.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.458 ' CG2' HD12 ' A' ' 89' ' ' LEU . 12.5 mm -98.35 126.38 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.51 126.24 30.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.5 p -71.24 -30.73 66.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' OE1' ' CA ' ' A' ' 45' ' ' SER . 4.3 mm-40 -66.69 -21.17 66.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.62 17.93 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.44 -170.1 12.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 42' ' ' THR . 8.1 p -112.41 152.01 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.436 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -38.26 -58.24 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -57.01 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -43.85 -51.94 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.59 -47.01 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.436 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 18.0 m-20 -64.18 -49.25 72.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.45 -40.93 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 76' ' ' ILE . 37.2 mt -56.94 -33.77 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 mt -72.99 -36.18 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -61.88 -61.09 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -49.45 -52.28 30.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.455 ' CB ' ' CG2' ' A' ' 99' ' ' VAL . . . -48.39 -47.97 37.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.78 -44.54 70.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 40.2 mt -60.95 -17.23 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.08 -13.72 24.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 m170 74.95 10.77 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 147.64 25.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' A' ' 29' ' ' PHE . 7.9 p -151.72 148.07 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.422 HG12 ' CG ' ' A' ' 18' ' ' GLU . 87.8 t -121.15 133.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -125.87 153.47 44.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.56 116.31 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.427 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 2.0 t -99.35 158.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 19.9 tt0 -119.42 132.14 55.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 6.5 p90 -173.85 169.99 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.2 110.81 23.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.78 79.33 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -165.55 -172.33 32.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 57.64 4.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.7 t 43.09 78.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.5 p -124.31 134.25 53.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.133 . . . . 0.0 111.006 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.72 141.8 30.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -41.08 143.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.56 162.89 36.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.0 160.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -94.15 102.01 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.89 -157.55 15.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.89 -91.7 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.49 88.03 0.06 OUTLIER Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -134.94 89.61 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 pt -113.58 136.35 50.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -78.45 119.15 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -111.78 -59.34 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.615 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -141.64 159.56 41.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.429 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -81.5 150.77 28.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 p -135.89 157.02 47.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -133.42 142.53 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' CG1' ' A' ' 100' ' ' VAL . 22.0 tt0 -106.98 116.53 32.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.26 132.7 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 t -108.93 101.53 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 31' ' ' LEU . 10.7 mt -95.37 150.21 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -135.23 145.32 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.3 37.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.75 167.07 12.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.81 -47.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.55 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.11 -152.11 46.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 99' ' ' VAL . 20.4 m-85 -103.33 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.99 58.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 1.5 pp -155.72 133.18 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' CYS . 3.0 mm-40 -109.43 126.65 53.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.6 mt -89.57 147.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.477 ' OE1' ' CD1' ' A' ' 48' ' ' LEU . 1.8 tt0 -129.98 122.12 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.36 153.73 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . 41.95 94.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' GLY . 5.8 mt -39.48 -39.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -92.94 168.04 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.34 -57.81 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 41.2 p -67.26 91.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER 166.12 145.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.6 m -66.64 155.42 37.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.423 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 25.3 mt -102.38 109.95 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' OE1' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -72.4 -23.49 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 p -134.52 163.53 50.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 141.23 26.39 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' CD1' ' OE1' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -94.63 169.83 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 52' ' ' ILE . 20.0 t -83.24 85.72 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -46.1 -59.6 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 20.2 t80 -144.12 170.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.602 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 7.5 mt -141.45 138.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -72.05 139.98 82.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.07 17.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.41 13.04 8.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.69 178.62 2.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -38.67 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -65.3 -25.19 67.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -85.8 -41.47 15.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -53.75 -26.51 23.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.2 m -63.29 -28.34 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 -57.84 0.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -31.51 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -83.47 133.17 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 6.6 mt-30 -164.42 175.56 9.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.97 131.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.06 -42.86 1.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.66 150.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.6 mpp_? -106.63 161.35 14.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.7 t -134.18 88.65 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 52.3 mt -55.13 -57.93 9.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.6 p -132.11 167.36 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.537 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 95.7 mt -130.82 110.89 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.411 ' ND2' HG22 ' A' ' 99' ' ' VAL . 0.8 OUTLIER 70.99 8.2 6.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.96 0.88 27.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 89' ' ' LEU . 5.8 mm -98.92 118.43 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.78 118.06 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.3 p -66.65 -23.79 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 44' ' ' SER . 2.8 mm-40 -72.35 -24.68 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -97.3 16.27 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.39 -178.22 19.01 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.3 p -99.78 157.18 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.443 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -37.97 -58.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -48.92 -56.01 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -37.92 -55.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.34 -47.67 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' LEU . 19.6 m-80 -65.48 -61.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -41.36 -35.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.461 HD12 ' CG2' ' A' ' 76' ' ' ILE . 28.8 mt -63.74 -49.06 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.537 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 0.6 OUTLIER -56.46 -28.38 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -62.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.66 -28.43 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.24 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 64.5 mt -60.7 -15.55 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.5 -9.93 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.1 m170 68.21 8.29 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -153.87 158.51 40.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.565 HG13 ' CZ ' ' A' ' 29' ' ' PHE . 9.9 p -161.84 164.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 18' ' ' GLU . 39.8 t -132.47 120.24 41.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -110.11 133.61 53.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -110.99 110.93 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.8 t -98.03 156.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 4.9 tt0 -124.79 129.98 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -161.3 166.75 27.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.67 9.95 37.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.9 p 57.91 105.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.88 172.94 36.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 129.9 12.81 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 t -154.56 126.35 7.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.4 t -147.31 151.85 37.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.36 158.73 34.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.19 114.05 17.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.04 -139.83 6.61 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t 62.61 129.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.0 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.2 131.3 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.15 -161.94 9.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.18 156.39 12.28 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.92 -120.51 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -89.32 116.46 27.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 mm -64.33 127.5 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.32 110.2 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -78.32 -65.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.612 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -116.51 176.56 5.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -118.97 164.84 14.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -140.62 143.11 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -123.81 142.26 51.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -109.0 121.49 45.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.8 t -114.31 131.87 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.8 t -112.3 109.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 71.5 mt -100.53 141.66 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 113.1 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.3 170.16 32.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 50.4 m-20 -81.09 155.77 72.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.48 ' CB ' ' CD2' ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -33.46 4.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.02 -56.46 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -85.17 -25.46 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 88.69 -125.16 7.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CE2' HG11 ' A' ' 99' ' ' VAL . 24.4 m-85 -127.06 -85.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.89 59.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -155.24 130.66 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -111.12 127.56 55.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.9 mt -88.49 160.5 17.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.67 112.55 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.36 -148.23 4.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.65 177.42 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 mp -89.86 -45.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -82.65 118.61 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.57 -44.8 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -70.57 -168.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' THR . 2.2 mt-10 67.18 108.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 41' ' ' GLU . 17.1 m -39.1 158.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 65.2 mt -100.58 117.37 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -79.18 -22.51 44.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 p -134.27 157.65 77.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 138.01 22.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.91 24.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -91.61 165.38 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.0 t -74.55 96.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 t -57.0 -55.98 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.1 t80 -147.95 168.85 21.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.6 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 79.1 mt -137.24 143.16 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -76.31 140.53 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 125.27 9.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.61 20.02 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.498 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.88 177.64 2.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.051 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.92 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -60.16 -34.61 73.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLY . 4.6 tp10 -78.18 -41.97 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -50.54 -36.06 32.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.417 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 14.8 m -63.27 -28.34 69.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 76.55 -53.84 3.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -43.26 -39.62 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 HD21 ' CD1' ' A' ' 52' ' ' ILE . 2.2 tt -71.94 132.35 44.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 8.1 pt20 -162.27 154.77 19.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.17 136.11 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.9 -35.23 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -45.47 140.85 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.451 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.29 134.39 40.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.1 t -103.62 102.68 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 28.1 mt -72.01 -60.04 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 p -133.41 164.57 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.01 112.31 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 74.03 8.8 4.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.3 5.14 34.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 mm -107.71 120.23 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.42 121.39 19.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.9 p -61.65 -32.11 72.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.11 -15.5 62.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.97 32.35 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.11 -174.18 37.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.4 p -102.14 156.63 17.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.439 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -37.95 -58.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -59.89 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.22 -46.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.96 -51.81 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.439 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.5 m-80 -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -61.88 -40.22 94.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.27 -34.54 70.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.85 -35.05 72.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -58.1 -65.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -48.39 -48.58 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -52.33 -49.06 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.48 ' CD2' ' CB ' ' A' ' 25' ' ' PRO . 40.8 mt -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.6 -9.84 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 66.67 15.34 10.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -153.13 142.17 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 29' ' ' PHE . 6.3 p -150.82 147.7 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.7 t -119.26 126.79 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.77 144.9 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.56 112.24 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.69 145.17 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 5.8 tt0 -109.08 142.19 40.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -179.19 165.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -99.72 102.03 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.4 t -58.4 101.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.0 -144.54 4.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.81 23.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 p -95.7 139.36 32.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.0 t -132.82 156.15 47.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -169.73 132.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.021 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -90.12 161.29 15.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.52 107.39 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.1 111.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -135.27 160.3 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.95 -127.21 1.02 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.86 -165.02 18.14 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.33 72.58 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -55.56 164.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 mt -97.73 135.58 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -134.98 134.28 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -125.47 -55.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 m -73.8 -171.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' O ' ' CG2' ' A' ' 16' ' ' THR . 1.8 mm-40 -115.71 178.64 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 15' ' ' GLU . 3.6 p -157.61 140.54 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -125.97 133.94 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.474 ' HG3' ' CG1' ' A' ' 100' ' ' VAL . 33.4 tt0 -90.52 116.44 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.1 t -103.69 106.31 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.2 t -99.08 112.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -110.98 150.66 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 m -129.98 112.59 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.84 169.24 26.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.93 162.54 57.02 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' CB ' HD21 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.0 -14.16 21.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -53.92 4.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.1 p -78.09 -25.09 47.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.06 -125.79 7.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CE2' HG12 ' A' ' 99' ' ' VAL . 31.7 m-85 -131.16 11.19 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.61 50.07 25.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -147.43 142.37 26.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -119.18 145.76 45.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.4 mt -105.5 141.42 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.497 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.5 tt0 -113.7 125.28 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.75 -148.87 5.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.21 155.95 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.62 -48.85 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.11 163.1 27.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.59 -49.31 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.2 p -74.77 90.71 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.48 136.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -69.8 158.07 36.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -101.2 111.16 23.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 p -76.29 -25.12 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.3 163.47 50.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 140.85 26.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 158.97 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -113.38 162.63 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 52' ' ' ILE . 25.3 t -65.93 82.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 5.5 t -43.49 -60.49 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.598 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 37.0 t80 -143.56 171.39 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.598 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.1 mt -140.7 140.32 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.28 142.38 35.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 142.7 27.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.771 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.32 15.51 5.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -91.11 178.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -64.8 -25.9 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.0 tp10 -91.92 -38.32 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -33.79 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.53 69.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.078 . . . . 0.0 108.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 69.77 -58.28 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.32 -42.97 43.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 tp -64.81 130.22 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -160.3 156.17 25.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -42.84 132.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.97 -40.56 2.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.57 128.95 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HE ' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -83.18 170.13 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -138.75 88.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 43.4 mt -56.05 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.0 p -132.29 165.47 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.497 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 89.4 mt -124.1 110.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.1 6.23 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.93 4.9 25.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.9 mm -106.62 120.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.45 133.93 56.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.0 p -78.18 -13.3 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -84.86 -14.82 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.29 19.94 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.89 155.47 26.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 85' ' ' GLU . 82.3 p -71.8 166.85 21.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.8 tpt -49.21 -22.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.82 -29.28 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -62.86 -47.67 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.68 76.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.03 -52.81 57.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -47.85 -33.82 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.7 -50.77 63.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.497 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -55.03 -36.69 65.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -49.23 -46.42 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 99' ' ' VAL . . . -55.17 -30.08 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.57 74.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 25' ' ' PRO . 66.2 mt -70.66 -14.87 62.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.38 -14.96 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.5 m170 73.83 9.4 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.89 144.31 23.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 29' ' ' PHE . 13.1 p -150.8 148.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.474 ' CG1' ' HG3' ' A' ' 18' ' ' GLU . 45.4 t -121.36 141.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mt -133.31 151.78 51.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.81 111.61 15.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.9 t -93.17 160.27 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 5.6 tt0 -123.06 132.75 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 6.9 p90 -176.57 170.52 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -106.87 112.77 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -74.57 98.75 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.03 174.68 39.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.4 m -137.63 132.63 33.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.5 m 53.47 84.73 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -173.49 169.09 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -167.31 132.14 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.63 178.02 38.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -84.77 93.22 8.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -123.52 123.04 39.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.57 172.3 35.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.44 -114.67 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.71 173.39 35.01 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.04 82.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.786 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -44.33 144.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -44.17 -49.7 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 78.9 119.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.5 m 61.08 165.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.72 163.26 14.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 p -154.91 147.71 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -119.73 136.0 54.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -103.5 119.05 38.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG1' ' SG ' ' A' ' 61' ' ' CYS . 86.5 t -106.74 158.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.7 t -130.01 97.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -88.73 133.21 34.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -119.73 145.2 46.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 108.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.35 178.03 48.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.52 167.17 17.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -14.47 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -105.15 -44.79 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -74.34 -16.22 60.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.53 -141.86 48.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 12.0 m-85 -117.92 -90.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 58' ' ' ALA . . . 149.17 66.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.69 135.4 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -117.21 132.73 56.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.5 mt -95.83 160.17 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -137.07 112.05 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.43 -143.08 3.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.68 179.74 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mm -99.52 -56.68 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -64.6 125.44 24.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.67 -43.51 36.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -72.7 -168.62 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 68.03 116.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -55.53 161.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.5 mt -93.86 123.11 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -26.19 32.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.36 163.32 52.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.08 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.76 38.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -99.09 161.75 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.71 86.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 t -47.11 -56.98 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.3 t80 -149.7 168.61 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 8.3 mt -138.76 140.21 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.06 138.42 72.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.6 19.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 68.85 9.0 7.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.0 178.44 2.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -59.38 -24.47 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.3 -42.07 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -54.96 -23.22 18.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 8.3 t -63.33 -27.88 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.08 -58.61 0.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -40.65 47.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.34 159.09 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 171.81 158.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.4 133.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.44 -41.38 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.55 159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 1.3 mpp_? -117.27 118.29 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.9 t -86.07 112.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 20.0 mt -79.41 -57.22 3.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.1 p -136.89 167.18 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.1 mt -135.55 112.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 74.9 8.66 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.63 -0.68 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.1 mm -102.18 127.67 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.62 131.65 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 p -68.96 -27.15 65.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -67.09 -13.82 62.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.81 32.18 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.77 165.22 38.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.2 p -88.64 160.35 17.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 6.6 tpt -43.31 -42.47 4.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.2 -40.74 78.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -53.45 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.77 -40.82 80.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -67.41 -45.16 76.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.3 mt -52.46 -32.07 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 99' ' ' VAL . 6.6 mt -76.58 -37.61 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -62.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -53.35 -38.54 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.8 93.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.45 -35.62 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.0 -18.67 63.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.38 -9.76 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 70.16 7.34 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.407 ' CE ' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -153.47 156.22 37.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.562 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 10.9 p -156.24 149.65 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.407 HG23 ' CE ' ' A' ' 98' ' ' LYS . 72.7 t -116.89 125.9 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.9 141.57 47.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.09 112.76 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.9 t -100.22 151.5 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 35.6 tt0 -110.57 145.54 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.1 p90 178.39 158.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -99.4 93.86 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -50.25 113.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 125.58 152.3 8.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.07 37.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 80.6 p -149.36 148.44 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.76 86.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.33 165.77 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.947 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 m 60.37 113.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.83 106.28 3.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.6 167.14 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.98 108.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.31 86.61 0.83 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.15 173.34 22.49 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.83 155.64 16.17 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -72.25 152.91 41.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.327 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 pt -75.42 166.85 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -160.86 128.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -143.79 -63.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.418 ' CG2' ' HG2' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -100.61 152.75 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.439 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -97.01 160.32 14.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.475 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.493 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -127.49 131.83 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' CG ' ' CG1' ' A' ' 100' ' ' VAL . 31.3 tt0 -97.91 114.15 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 21' ' ' LEU . 3.3 t -103.69 132.49 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.46 97.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.517 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 2.0 mp -90.66 132.35 35.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 97' ' ' HIS . 49.4 t -121.65 152.55 39.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 -167.04 37.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 166.89 10.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -101.03 -51.16 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -72.33 -30.46 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.7 -141.09 26.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' A' ' 99' ' ' VAL . 12.3 m-85 -117.57 -92.58 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 58' ' ' ALA . . . 147.21 64.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.088 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -155.18 137.95 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -120.1 124.94 47.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.4 mt -86.81 160.69 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -140.85 111.4 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.06 -156.84 7.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -43.85 142.32 2.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.16 -38.32 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -87.46 153.05 21.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.82 -36.84 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.0 p -82.74 80.36 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.79 123.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.6 m -46.06 157.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 24.0 mt -102.98 119.15 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -88.87 -18.64 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.8 p -134.41 157.03 78.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 136.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.47 32.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.43 166.86 11.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.45 87.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 t -46.7 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 5.8 t80 -145.66 167.92 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.587 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 13.7 mt -137.43 146.45 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.65 139.31 35.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.406 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.3 Cg_endo -74.98 132.58 15.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 2.4 t0 74.81 6.31 4.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.51 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.02 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -57.5 -23.51 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -87.11 -43.15 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -55.27 -18.23 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.517 ' SG ' ' CD1' ' A' ' 21' ' ' LEU . 15.9 m -62.96 -25.81 68.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.32 -61.07 0.6 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.82 -27.62 66.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.515 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 3.8 tp -72.3 136.76 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -167.89 150.32 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 t -43.4 128.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.39 35.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.57 129.31 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.348 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.71 169.14 18.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.44 88.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 53.7 mt -54.09 -63.7 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 p -127.64 167.6 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.429 HG12 ' CD2' ' A' ' 101' ' ' LEU . 96.7 mt -134.56 111.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.55 3.18 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -1.1 23.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.7 mm -104.54 126.27 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.763 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.54 130.46 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 50.1 p -72.54 -14.75 61.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -84.01 -19.64 34.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -94.07 43.02 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.15 -171.09 40.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.6 p -102.1 159.72 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.433 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -42.75 -64.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -45.0 -58.96 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -38.99 -45.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.09 78.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' GLU . 13.1 m-80 -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 tp60 -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 mt -49.05 -32.25 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 31' ' ' LEU . 3.1 mt -74.23 -37.27 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -56.5 -59.07 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.08 -41.35 83.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . . . -57.13 -50.01 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -51.62 -40.55 60.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 86.9 mt -62.2 -21.3 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 97' ' ' HIS . . . -81.11 -20.87 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 96' ' ' ALA . 2.3 m170 85.25 -4.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.563 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 152.06 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' A' ' 29' ' ' PHE . 8.2 p -156.42 151.61 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.418 ' CG1' ' CG ' ' A' ' 18' ' ' GLU . 98.9 t -113.71 129.83 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' CD2' HG12 ' A' ' 73' ' ' ILE . 54.2 mt -117.72 143.96 45.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -122.61 113.77 19.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 t -101.68 161.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 6.6 tt0 -132.44 112.86 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.493 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 2.6 p90 -146.12 167.55 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.7 9.39 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.02 99.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.95 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -122.42 -160.04 10.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.19 5.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.5 m -73.75 133.8 43.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.88 123.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -173.06 105.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.961 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -152.27 129.34 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.89 -89.76 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.437 1.086 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -46.19 161.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.69 -59.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.99 -102.62 0.69 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.05 -149.06 19.31 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.3 122.77 1.23 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -100.59 148.01 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 110.259 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp 63.03 142.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.59 140.03 42.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.42 109.56 22.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.9 m 56.85 166.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.4 mp0 -100.15 154.11 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -143.5 151.92 40.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.42 ' CG2' HG22 ' A' ' 103' ' ' VAL . 14.8 t -126.69 150.34 49.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -112.8 117.69 32.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -105.22 129.5 57.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.4 t -114.37 120.61 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 77.4 mt -117.04 144.9 44.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.74 112.94 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.07 -174.95 17.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.69 164.3 19.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.469 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.2 Cg_endo -74.97 -22.21 15.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -54.86 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -74.46 -7.89 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.87 -138.73 44.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 99' ' ' VAL . 10.9 m-85 -115.75 -87.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.45 66.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 2.6 pp -161.12 134.51 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -113.31 131.88 55.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.8 mt -93.95 159.26 15.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 tt0 -139.86 114.88 9.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.87 6.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.5 157.3 0.48 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mt -67.18 -51.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -82.81 136.37 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.2 -44.4 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.4 p -68.47 78.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.47 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -57.1 160.84 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 45.2 mt -109.02 119.49 39.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -25.78 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.434 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 1.5 p -134.37 161.7 62.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.403 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.4 Cg_endo -74.97 139.94 24.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 139.38 24.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -91.21 164.46 13.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 52' ' ' ILE . 27.0 t -75.15 95.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.47 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 108.281 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 6.1 t80 -153.01 167.33 29.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 17.4 mt -136.83 147.18 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.0 OUTLIER -79.06 138.39 56.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.4 Cg_endo -74.95 122.26 7.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 76.34 17.18 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -83.22 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.029 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.95 -43.15 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -58.91 -31.75 68.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 10.3 tp10 -83.08 -37.98 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -53.0 -39.13 62.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 m -63.07 -29.17 70.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 108.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.96 -53.07 2.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' GLY . 5.9 mt -38.1 -52.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 1.1 tp -67.31 143.14 56.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 2.0 mt-30 -168.34 163.42 12.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.65 129.92 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.5 -30.13 9.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.64 173.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.446 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -128.15 122.16 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 69.4 t -91.24 113.5 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.3 mt -80.15 -54.92 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.6 p -142.38 167.42 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.537 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 63.5 mt -129.52 111.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 68.33 13.43 9.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.0 4.23 41.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 89' ' ' LEU . 3.2 mm -99.98 111.43 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 115.08 5.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 p -61.46 -16.46 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 45' ' ' SER . 3.7 mm-40 -82.01 -16.52 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -102.57 24.73 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.22 -162.21 11.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 p -112.82 154.41 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.452 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -38.32 -61.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -56.0 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.91 -55.4 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.14 -49.19 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.452 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.5 m-80 -63.6 -50.24 70.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -50.59 -34.6 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 76' ' ' ILE . 17.0 mt -64.18 -48.14 77.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.537 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -56.81 -28.73 61.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -55.4 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.22 -37.76 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' A' ' 99' ' ' VAL . . . -60.19 -37.21 79.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 14.3 mt -65.42 -12.98 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.5 -10.71 23.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 67.68 9.55 7.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.629 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 140.33 19.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 29' ' ' PHE . 9.2 p -143.62 161.57 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.4 t -134.57 123.94 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -112.74 153.26 28.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -127.95 112.61 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.42 HG22 ' CG2' ' A' ' 17' ' ' THR . 0.5 OUTLIER -102.98 151.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -114.18 144.17 43.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -175.71 159.44 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -99.1 10.89 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 p 62.21 97.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 162.25 -146.8 12.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.37 41.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.17 107.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.92 151.44 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.76 163.13 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -132.73 -58.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.62 -175.62 0.17 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.6 154.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.5 -56.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.97 -109.53 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.32 -159.9 9.24 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.08 123.9 1.26 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -101.74 152.86 20.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 mt -93.12 131.65 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 p -167.65 171.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.79 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.637 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -94.76 170.96 9.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -99.31 152.41 19.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.05 145.42 47.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -127.56 137.91 52.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -103.69 116.26 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 20' ' ' VAL . 52.3 t -101.13 137.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.4 ' N ' HG12 ' A' ' 19' ' ' VAL . 81.6 t -120.95 109.26 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 43.7 mt -105.5 144.94 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.92 113.17 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.74 -177.99 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.33 166.57 22.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.553 0.796 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.05 -24.31 12.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.36 -47.34 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 t -76.6 -3.05 35.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.14 -116.92 4.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 20.3 m-85 -136.66 -87.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.63 64.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -161.82 132.47 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.3 137.88 47.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.7 mt -99.63 151.72 20.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.7 tt0 -128.22 122.6 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.16 -150.73 5.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.38 162.56 6.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.4 -47.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -74.91 94.17 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.01 -57.62 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -63.54 82.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 175.31 130.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -52.89 158.48 1.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -109.98 113.44 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 m -70.69 -25.61 63.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.65 163.52 50.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.9 25.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.04 23.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.443 1.759 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.3 OUTLIER -90.0 163.72 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -75.02 91.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.423 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -50.56 -61.08 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.9 t80 -145.38 169.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.604 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 94.7 mt -139.12 144.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.464 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -77.07 137.44 65.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.2 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 4.2 t0 76.73 12.22 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.64 178.02 2.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.93 -44.19 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -55.86 -37.05 68.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -78.81 -36.84 42.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -54.46 -38.72 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.66 -28.84 70.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.33 -52.36 3.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -44.49 -35.91 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -80.24 127.84 32.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 6.8 mt-30 -156.39 165.72 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.46 135.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.33 -31.76 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -46.22 139.03 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 1.5 mpp_? -98.04 124.86 42.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -94.95 111.12 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 31.2 mt -78.88 -57.56 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.1 p -135.07 168.3 19.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 76' ' ' ILE . 72.2 mt -139.8 113.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' ND2' HG23 ' A' ' 99' ' ' VAL . 1.8 m120 75.91 2.82 3.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.4 -2.38 23.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 13.0 mm -101.16 128.95 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.7 131.0 40.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.7 p -70.18 -33.99 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.27 -15.33 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -106.83 38.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.51 -169.62 33.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.5 p -108.13 152.08 25.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.422 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -37.92 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -60.69 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -38.78 -48.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.59 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.422 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 23.8 m-20 -62.38 -46.24 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -58.32 -44.28 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.73 -34.71 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.435 HD23 ' CG2' ' A' ' 99' ' ' VAL . 3.3 mt -72.14 -30.72 65.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -58.93 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.66 -46.87 86.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 99' ' ' VAL . . . -47.57 -45.29 26.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.79 90.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 85.8 mt -62.5 -14.7 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.16 -7.84 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 66.29 12.35 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.643 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.23 143.65 22.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 29' ' ' PHE . 7.8 p -145.18 148.57 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.5 t -119.62 124.49 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -118.43 137.28 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.5 113.38 21.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.61 150.64 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 8.4 tt0 -112.9 143.25 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.3 p90 179.59 168.23 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.03 113.08 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.4 t -67.66 103.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.83 147.44 4.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.69 18.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.6 m -126.01 154.81 42.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.8 p -123.11 147.21 47.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.84 104.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.039 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.55 78.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.72 -74.79 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.58 93.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.31 143.98 49.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.63 -178.56 48.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.55 -93.44 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.53 -166.75 29.93 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.74 170.93 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.55 153.4 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.3 t -136.34 136.49 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -73.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -128.53 157.21 41.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.437 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -100.57 161.33 13.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -153.39 152.02 30.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -127.4 138.65 53.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' CG ' HG13 ' A' ' 100' ' ' VAL . 26.2 tt0 -94.46 117.95 30.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.8 t -102.79 120.84 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t -111.43 115.6 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -112.46 146.92 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.6 115.46 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.83 179.71 22.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.46 166.39 21.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -22.86 14.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -90.94 -46.08 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.81 0.1 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.14 -118.92 4.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 99' ' ' VAL . 10.7 m-85 -131.56 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.26 60.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.71 138.88 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -116.25 130.01 56.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.1 mt -91.9 154.31 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -127.97 113.71 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.73 -145.78 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.44 159.19 5.4 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.2 -47.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -76.46 129.13 36.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.56 -36.4 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -77.7 -167.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.88 115.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 m -54.63 159.88 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -98.84 115.29 28.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -26.62 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.37 163.24 52.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.22 24.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.78 25.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -92.36 162.32 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.1 t -71.92 91.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -54.14 -52.72 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.3 t80 -153.35 167.56 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 28.4 mt -137.0 143.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.4 mt-10 -76.72 142.76 70.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t0 64.58 12.7 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.67 178.22 2.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.01 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.456 1.766 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.11 -26.24 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.31 -43.3 13.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -52.01 -29.97 23.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -63.51 -29.17 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.51 -60.16 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -41.24 -42.13 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.29 144.88 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.7 161.02 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.6 t -53.88 136.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.49 -32.72 6.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.56 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 4.4 mpp_? -128.99 130.92 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.1 t -100.3 107.38 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 24.7 mt -76.67 -58.88 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -139.84 157.75 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.5 mt -127.75 117.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.2 12.22 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 -3.32 42.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.9 mm -95.05 126.98 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.88 127.35 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.8 p -67.39 -24.2 65.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.15 -11.98 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -104.8 37.92 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.07 169.84 41.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.5 p -87.42 169.11 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.354 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.0 tpt -46.3 -46.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -56.02 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.0 -49.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.48 -59.19 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -54.25 -42.39 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -63.62 -42.56 98.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.66 -34.2 73.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.39 -25.55 60.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -70.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -44.31 -41.54 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.53 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.8 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.0 mt -62.98 -13.82 39.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.05 -8.16 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 66.18 10.36 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.41 141.64 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.551 HG13 ' CE2' ' A' ' 29' ' ' PHE . 10.6 p -144.99 163.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.48 HG13 ' CG ' ' A' ' 18' ' ' GLU . 57.5 t -140.14 131.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mt -126.95 151.59 48.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.34 113.4 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.69 149.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 3.1 tt0 -111.09 142.74 42.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -174.69 172.93 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -113.5 11.62 18.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t 57.54 86.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.98 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 170.36 157.63 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 145.87 31.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.772 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.6 p -161.13 -62.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 m 59.88 97.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p -90.15 113.81 25.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -119.4 95.48 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.15 124.9 7.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -130.63 86.01 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.14 -58.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.94 128.94 1.02 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.41 -147.92 7.6 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.72 84.73 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 70.34 158.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 110.278 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.0 mt 63.61 131.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.26 144.12 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.494 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 2.5 t60 -72.92 81.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 13' ' ' HIS . 2.0 m 79.35 174.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -120.76 171.16 8.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -144.15 141.47 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.404 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 1.9 t -124.96 131.7 53.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' CG ' HG13 ' A' ' 100' ' ' VAL . 24.7 tt0 -103.37 114.96 29.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.2 136.4 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.18 104.99 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 14.2 mt -98.89 150.37 21.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -131.91 148.48 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.96 -175.29 45.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.59 166.7 14.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.64 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -101.19 -47.75 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -26.35 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.27 -118.85 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 28.7 m-85 -140.46 -89.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.62 65.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -160.78 131.0 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -111.78 133.67 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.6 mt -93.19 163.47 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 tt0 -140.5 111.12 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.87 -160.2 8.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.83 167.72 33.66 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.15 -93.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -44.05 112.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.42 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -64.67 -59.69 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 3.9 p -51.73 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 42' ' ' THR . 1.1 pt-20 163.24 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.554 ' CB ' ' O ' ' A' ' 41' ' ' GLU . 2.4 m 86.47 139.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 mt -79.83 126.09 30.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -22.3 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.75 164.38 44.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.15 18.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 157.77 42.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -105.77 171.53 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 52' ' ' ILE . 17.9 t -81.38 88.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.51 -60.26 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.1 t80 -143.9 170.84 15.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.604 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 48.0 mt -143.31 145.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.9 OUTLIER -77.89 138.4 61.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.13 11.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.88 7.27 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -74.92 178.32 1.83 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -75.04 -41.54 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -62.07 -26.75 68.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -87.14 -34.29 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -61.4 -34.66 75.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.12 -28.56 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.59 -53.75 2.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.5 mt -39.21 -53.93 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 29.4 mt -61.5 153.52 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -179.24 163.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.58 121.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 115.37 -28.56 7.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 67' ' ' GLY . 1.3 m-20 -47.93 173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.488 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 1.4 mpp_? -127.78 154.37 45.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.56 106.74 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 29.1 mt -75.32 -58.99 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 p -138.31 165.72 26.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' ILE . 32.9 mt -134.2 119.63 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 66.17 11.33 7.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.15 12.55 31.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 3.5 mm -115.33 119.57 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.79 123.75 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -62.43 -26.03 68.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.93 -32.35 61.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -22.08 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.51 -176.27 14.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 39' ' ' ALA . 13.3 p -99.04 177.37 5.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.456 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -52.31 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.56 -41.77 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -44.86 91.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.05 -60.32 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.456 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 17.9 m-80 -51.02 -48.39 61.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.18 -45.95 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.63 -40.22 71.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.37 -41.18 98.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -49.59 -46.55 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.467 ' CB ' HG22 ' A' ' 99' ' ' VAL . . . -49.24 -50.53 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.72 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.17 -14.87 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.76 -5.39 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 65.91 10.75 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' CD ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.33 159.1 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.574 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 9.9 p -159.86 159.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.47 HG13 ' CG ' ' A' ' 18' ' ' GLU . 53.3 t -129.91 129.38 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.77 137.7 53.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -117.85 111.03 18.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.8 t -101.78 155.78 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 22.3 tt0 -119.52 138.37 53.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.404 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 5.8 p90 -176.52 159.85 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -86.94 112.05 21.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.38 83.77 3.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -133.01 -173.04 13.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 78.48 2.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.6 t -40.48 153.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.3 p -46.44 114.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.033 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.81 131.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.978 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.91 93.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.95 -172.74 43.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -44.79 163.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.784 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.13 116.71 13.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.36 -85.39 1.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.138 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.41 142.67 15.66 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.83 149.45 0.33 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -145.4 96.26 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.7 mt 63.55 149.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -135.32 93.13 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -127.88 158.93 36.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -88.85 152.26 21.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -147.96 136.34 21.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 t -111.4 133.97 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -105.58 130.41 53.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.3 t -126.6 131.91 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.03 97.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 1.3 mp -85.6 148.9 25.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.13 107.87 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.9 -178.33 15.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -95.23 166.74 14.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -44.44 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.33 -49.13 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -31.76 64.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 24' ' ' ASP . . . 74.97 -122.33 6.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 99' ' ' VAL . 41.3 m-85 -130.69 -88.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 58' ' ' ALA . . . 145.61 58.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -149.2 145.01 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -124.12 129.21 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.5 mt -90.99 155.57 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -132.57 115.13 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.76 -141.41 3.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.33 167.18 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 mp -79.28 -49.45 19.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.78 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -77.1 165.18 24.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.11 -49.31 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 p -74.22 78.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.48 128.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -58.69 159.19 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.4 mt -106.56 120.07 40.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -23.88 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.17 163.32 52.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.99 21.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.11 31.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -96.37 166.18 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 64' ' ' LEU . 51.6 t -75.6 94.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.63 -55.69 26.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.7 t80 -148.87 171.04 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.602 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 9.8 mt -141.57 139.28 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.37 143.11 75.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.35 26.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.09 15.45 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.53 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.56 179.76 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.53 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -52.1 -25.45 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 tp10 -91.99 -46.23 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -51.11 -29.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' LEU . 4.3 t -63.0 -28.12 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 68.57 -58.98 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -51.54 -33.67 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.444 ' CD2' HG23 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -83.57 131.28 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -161.11 159.73 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.62 130.71 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.26 -35.91 4.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.56 144.9 5.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -96.67 148.27 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.9 t -121.25 98.45 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.437 ' CG ' ' HB2' ' A' ' 104' ' ' GLU . 67.0 mt -67.08 -61.25 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.4 p -129.71 168.06 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 97.9 mt -137.64 112.31 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.2 t-20 76.85 2.07 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 2.15 24.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.06 123.18 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.42 140.56 58.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -83.55 -33.79 25.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.41 -11.97 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -108.39 32.84 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -162.85 -169.27 26.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -108.38 164.17 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.3 tpt -46.69 -63.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.9 -56.28 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.47 -45.04 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.15 -54.01 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -59.75 -39.64 85.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.16 -44.1 80.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.71 -38.23 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 99' ' ' VAL . 6.8 mt -66.99 -33.96 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.7 OUTLIER -61.24 -68.9 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -43.48 -40.07 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.14 86.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -57.02 -43.64 82.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.08 -15.79 57.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.62 -8.31 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 63.95 19.0 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.67 150.48 28.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.565 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 8.6 p -161.75 146.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 t -116.0 123.94 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.38 129.81 55.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.14 110.8 18.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.4 t -96.79 155.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' HB2' ' CG ' ' A' ' 71' ' ' LEU . 19.8 tt0 -114.13 140.17 48.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.1 p90 179.84 176.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.42 99.49 6.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.0 t -68.96 79.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -155.77 -144.57 3.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.5 38.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.5 p -139.98 172.68 12.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.79 -56.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.2 165.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -78.07 116.9 18.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.04 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.92 149.01 9.64 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -70.8 96.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -139.87 146.39 39.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.18 84.61 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.23 96.32 1.13 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.07 -93.4 0.96 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.67 102.95 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.8 132.81 43.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -96.05 113.64 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -152.01 111.55 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 m 55.75 168.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -91.16 171.18 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 p -154.66 140.84 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -126.34 137.53 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 100' ' ' VAL . 30.7 tt0 -96.16 118.65 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.8 t -110.79 117.98 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.8 t -103.64 104.43 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 47.8 mt -97.69 142.17 29.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.05 114.28 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.88 176.39 23.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.2 m-20 -82.14 161.37 60.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.436 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.4 Cg_endo -74.93 -19.31 18.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.97 -51.49 7.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -17.29 47.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 75.51 -121.59 6.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.579 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 27.3 m-85 -130.81 4.82 4.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.29 57.03 21.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -148.49 151.07 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -131.62 129.17 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -95.63 157.22 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 tt0 -133.92 113.82 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.01 -156.99 7.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.88 163.87 0.65 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.23 -48.87 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -71.88 95.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.34 -38.58 28.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.1 p -84.07 75.36 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.27 128.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.7 m -44.78 159.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.7 mt -108.77 115.7 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -76.5 -23.99 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.62 162.83 55.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -74.98 140.44 25.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.94 25.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.534 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 1.4 mt -96.7 170.73 8.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 52' ' ' ILE . 42.3 t -82.67 93.64 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.4 t -52.85 -54.35 35.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.8 t80 -151.76 170.67 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.593 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 97.5 mt -139.58 140.88 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.0 mt-10 -77.16 138.86 64.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 131.62 14.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 2.1 t70 72.07 9.08 6.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.47 179.19 1.98 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.99 -43.95 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -61.0 -23.85 65.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -90.45 -35.5 15.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.428 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -54.19 -32.5 55.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -28.3 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.271 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.86 -58.59 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.33 -29.84 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -82.63 128.98 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.09 152.99 31.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.3 t -45.15 135.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.04 -40.35 2.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -40.8 139.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.534 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.38 129.5 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 54.8 t -97.25 114.74 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.46 -56.62 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 p -137.82 171.38 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.534 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 90.6 mt -134.07 113.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 68.78 10.06 7.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.17 2.61 33.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 4.4 mm -100.26 128.1 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 125.49 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -73.19 -19.84 61.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.88 -18.04 54.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -99.38 25.0 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.18 -168.43 20.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.4 p -105.92 159.62 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.454 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -44.5 -59.99 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -57.79 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.55 -55.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.88 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 23.5 m-20 -63.07 -48.37 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -52.27 -35.47 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.32 -47.33 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.534 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -57.65 -33.81 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -67.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -52.85 -29.8 30.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.67 61.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.92 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 29.2 mt -66.57 -13.41 61.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.78 -19.93 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 1.5 m170 79.43 12.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -152.66 141.73 21.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.579 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 9.3 p -153.18 137.71 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.473 HG13 ' CG ' ' A' ' 18' ' ' GLU . 39.5 t -109.92 142.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.6 mt -136.41 151.75 49.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.48 111.28 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.4 t -93.12 158.94 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.34 135.33 54.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -174.75 -178.17 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -113.69 109.31 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.3 t -74.0 92.65 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.026 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -131.51 -171.33 12.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.5 t 57.06 104.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.7 t -39.75 121.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.95 150.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.988 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 p -165.64 159.38 16.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.99 116.63 1.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -164.86 149.93 9.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.92 142.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.83 -175.11 38.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.0 -127.13 8.79 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.37 -155.96 21.79 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 54.63 101.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -102.74 173.7 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.53 143.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -48.97 -58.43 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.584 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' A' ' 104' ' ' GLU . 61.5 m -63.44 172.46 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.442 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -105.96 178.47 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.16 138.86 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.503 ' HB ' ' CE2' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -125.01 135.23 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -105.16 119.65 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.06 140.56 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -120.79 101.44 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 54.1 mt -93.05 144.48 25.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -129.08 112.84 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.19 15.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.57 163.14 21.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -14.78 21.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.46 -50.12 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.68 6.16 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 44.53 -125.69 6.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 99' ' ' VAL . 30.6 m-85 -126.19 -86.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.3 69.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -164.57 141.28 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.75 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.96 131.4 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 73' ' ' ILE . 24.2 mt -93.94 153.67 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.9 tt0 -139.35 111.91 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' CA ' ' SD ' ' A' ' 83' ' ' MET . . . -156.68 139.53 6.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.71 -160.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.485 ' CG1' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -125.06 -77.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' N ' ' CG1' ' A' ' 37' ' ' ILE . 84.5 m-85 -51.6 127.63 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.15 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 -168.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.499 ' O ' ' CG2' ' A' ' 82' ' ' THR . 1.5 mt-10 77.72 -145.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -145.58 155.86 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -94.0 114.17 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -82.34 -24.5 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.67 163.88 48.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 138.5 22.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' CB ' ' HE1' ' A' ' 83' ' ' MET . 18.4 Cg_endo -75.0 138.52 23.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -87.06 165.24 15.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' A' ' 52' ' ' ILE . 28.1 t -77.29 86.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 t -45.41 -62.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 10.2 t80 -138.89 170.46 15.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.602 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 7.2 mt -140.73 143.93 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.8 mt-10 -77.6 144.11 68.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.62 15.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 63.16 13.73 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -75.47 175.55 4.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -40.53 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -60.42 -30.03 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.7 tp10 -88.89 -40.47 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -50.19 -41.09 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 24.9 m -63.54 -29.67 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 108.369 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 78.85 -47.33 3.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.4 mm? -37.9 -58.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 20.8 mt -62.24 154.08 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 2.5 mt-30 -178.3 162.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.4 t -63.45 125.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 18.83 24.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 65' ' ' GLN . 4.5 m-20 -107.66 120.06 41.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 1.7 mtt180 -76.15 141.93 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.458 HG13 ' CG1' ' A' ' 73' ' ' ILE . 28.2 t -109.17 99.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 104' ' ' GLU . 55.5 mt -57.61 -61.61 2.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 p -134.08 166.69 22.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.458 ' CG1' HG13 ' A' ' 70' ' ' VAL . 73.0 mt -135.91 112.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.412 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.2 t-20 76.64 1.83 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.2 -0.06 23.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 mm -104.26 127.03 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.6 128.01 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.9 p -68.18 -23.3 64.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -71.1 -14.69 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -108.38 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.76 -159.59 21.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 41' ' ' GLU . 1.4 p -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.465 ' HE1' ' CB ' ' A' ' 47' ' ' PRO . 9.5 tpt -64.38 -44.56 90.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -53.36 55.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -51.31 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.54 -44.33 56.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -69.92 -39.31 76.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -64.9 -40.5 95.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.0 mt -56.45 -35.42 67.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.437 HD22 ' CG2' ' A' ' 99' ' ' VAL . 3.8 mt -69.92 -33.79 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -61.7 -67.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -44.88 -42.14 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.442 ' CB ' HG21 ' A' ' 99' ' ' VAL . . . -57.91 -41.81 83.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -58.37 -35.54 72.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 27.7 mt -70.31 -14.09 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.69 -20.15 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 4.6 m170 79.4 6.01 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -153.13 137.99 17.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 29' ' ' PHE . 10.9 p -141.1 143.27 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.9 t -111.92 127.88 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.74 145.82 46.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -125.03 115.68 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.6 t -103.35 157.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.477 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 7.4 tt0 -122.83 118.11 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.503 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 5.8 p90 -159.08 167.51 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -100.23 117.83 35.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 t -83.36 66.11 8.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -142.32 -170.29 12.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 150.26 37.79 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m 62.13 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 p -134.0 124.7 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.85 88.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.42 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.22 103.78 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -137.87 87.97 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -98.2 147.84 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.83 -128.43 1.52 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.16 -173.09 16.1 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.1 140.55 16.38 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.95 156.9 26.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.7 mt 63.5 151.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -166.32 151.56 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.59 113.85 26.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m 66.48 169.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -114.2 147.91 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -132.98 136.8 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 t -115.42 141.18 48.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -104.66 120.41 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.426 ' CG1' ' SG ' ' A' ' 61' ' ' CYS . 78.9 t -106.83 156.74 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.64 97.41 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -85.58 135.32 33.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -120.18 144.18 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.92 45.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 167.24 10.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.38 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -104.97 -45.07 4.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -80.47 -8.17 59.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.4 -148.59 6.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 99' ' ' VAL . 10.9 m-85 -108.34 -90.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 58' ' ' ALA . . . 144.26 76.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -166.68 137.83 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -114.41 137.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 HD23 ' CD1' ' A' ' 31' ' ' LEU . 46.5 mt -107.44 150.67 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -127.51 113.88 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.241 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.89 -155.62 6.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.7 -178.17 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' PHE . 17.8 mm -94.53 -81.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' ILE . 93.9 m-85 -37.36 98.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.31 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.2 p -87.21 85.14 7.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -175.79 129.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.4 m -51.3 155.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.441 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.6 mt -104.2 110.96 23.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.7 p -73.22 -23.53 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.4 163.57 50.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.401 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.3 Cg_endo -74.96 139.8 24.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' O ' ' A' ' 70' ' ' VAL . 18.4 Cg_endo -75.01 144.49 30.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.66 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -96.63 162.63 13.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.477 ' CG1' HG13 ' A' ' 52' ' ' ILE . 10.1 t -79.05 82.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' VAL . 3.9 t -41.57 -61.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 3.8 t80 -146.7 167.14 24.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.603 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 77.2 mt -133.9 142.66 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.48 138.58 63.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.85 20.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.1 7.4 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.502 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -81.92 178.82 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -44.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -57.97 -28.36 64.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.21 -40.91 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -25.03 61.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.426 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.2 t -63.37 -27.07 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.38 -57.84 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -39.54 71.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 133.85 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -159.59 176.36 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.0 136.92 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 72.65 42.42 47.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.507 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -94.78 -12.69 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.55 113.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.7 t -97.03 116.46 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 15.6 mt -81.17 -56.16 4.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -146.27 167.02 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt -135.9 112.99 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 0.9 OUTLIER 69.43 15.53 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.98 5.34 53.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.425 ' CG2' HD13 ' A' ' 89' ' ' LEU . 3.2 mm -101.1 113.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.8 113.55 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 p -59.16 -29.33 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.46 -12.41 61.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -110.7 27.93 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.17 -171.96 21.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.2 p -107.32 155.36 20.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.4 tpt -40.38 -57.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -58.29 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.99 -47.11 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.81 -50.99 69.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.28 -46.16 84.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -59.48 -36.63 76.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.425 HD13 ' CG2' ' A' ' 76' ' ' ILE . 30.2 mt -61.2 -38.5 86.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 mt -68.58 -37.46 79.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -59.55 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -45.16 -52.66 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.523 ' CB ' ' CG2' ' A' ' 99' ' ' VAL . . . -47.39 -45.4 25.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.49 -41.43 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.5 mt -62.92 -15.71 56.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.86 -6.67 38.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 67.54 9.33 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.548 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.56 152.41 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.563 HG13 ' CE2' ' A' ' 29' ' ' PHE . 7.0 p -157.1 143.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 74' ' ' ASN . 22.9 t -112.52 131.42 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.22 162.21 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -137.62 111.61 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -102.99 156.82 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -119.98 143.46 48.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -178.54 166.54 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -104.97 107.94 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.8 t -75.17 79.34 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.14 -147.82 18.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 136.08 19.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.773 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 t -179.27 93.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.2 p -94.74 -41.48 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -171.59 153.77 3.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.043 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -62.07 153.95 28.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.25 149.05 18.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -170.71 151.75 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -169.95 124.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.66 -90.76 1.01 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.02 -173.59 38.37 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.06 -153.61 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -138.18 82.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.2 mm 64.03 139.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -125.33 136.42 60.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -66.37 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -127.9 156.82 42.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -88.78 149.8 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -131.79 134.96 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -125.16 144.37 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' HG3' ' CG1' ' A' ' 100' ' ' VAL . 25.9 tt0 -99.07 116.81 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' SG ' ' A' ' 61' ' ' CYS . 20.2 t -107.39 108.43 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -91.97 103.04 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.2 mt -94.66 148.58 22.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.04 110.9 10.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.61 -179.71 16.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.19 166.51 17.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.437 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.5 Cg_endo -75.0 -19.91 17.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.18 -54.43 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -69.49 -11.75 61.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.91 -144.56 41.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CZ ' HG11 ' A' ' 99' ' ' VAL . 37.2 m-85 -102.41 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.442 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 144.36 69.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -167.13 138.29 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -105.03 157.59 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -121.8 142.36 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -119.72 119.33 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.52 -150.83 5.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.84 165.88 0.44 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -80.76 -49.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.06 153.32 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.02 14.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.5 p -98.3 66.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.25 127.46 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 43' ' ' LEU . 16.8 m -48.8 165.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' N ' HG23 ' A' ' 42' ' ' THR . 23.2 mt -114.65 108.45 16.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.57 -23.21 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 163.39 51.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.06 140.93 25.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 143.36 28.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.656 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -95.49 164.11 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.504 ' CG1' ' CG1' ' A' ' 52' ' ' ILE . 18.1 t -79.75 78.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' VAL . 1.7 t -40.83 -60.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 19.0 t80 -141.23 165.93 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.531 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 50.6 mt -133.57 139.31 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 3.1 mt-10 -76.77 136.89 66.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.54 23.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 65.89 11.52 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -84.48 178.82 2.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.97 -45.19 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -55.76 -34.46 65.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -76.76 -43.57 36.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -50.87 -27.19 6.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -63.25 -29.31 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.266 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.34 -60.81 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.94 -20.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -85.04 141.59 30.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -164.3 178.57 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.32 133.71 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 78.24 44.91 10.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.49 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.3 OUTLIER -96.89 -13.09 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.62 112.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 53.1 t -95.91 117.02 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 19.1 mt -82.85 -56.45 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 p -141.38 155.89 45.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.044 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 72.4 mt -125.18 111.13 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.6 t-20 75.6 5.28 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 -5.78 26.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 mm -94.83 121.72 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.84 123.82 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.0 p -67.24 -35.68 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.64 -20.17 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.37 47.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.19 172.67 43.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' GLU . 62.9 p -94.91 155.18 16.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 0.742 . . . . 0.0 110.358 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.2 tpt -41.44 -34.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -44.84 62.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' THR . 28.5 mt-10 -46.85 -46.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -56.03 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -55.95 -44.78 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -59.98 -51.79 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -48.65 -49.28 38.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.22 -38.94 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -66.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.81 -40.1 83.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.471 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . . . -52.59 -41.14 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 42.0 mt -58.71 -16.88 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.15 -15.89 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.6 m170 69.04 7.86 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.61 140.38 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.58 HG11 ' CZ ' ' A' ' 29' ' ' PHE . 9.8 p -153.23 146.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.414 ' CG1' ' HG3' ' A' ' 18' ' ' GLU . 5.8 t -106.61 116.21 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -103.78 131.44 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -111.11 111.16 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -96.86 160.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 3.4 tt0 -133.41 115.07 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -155.8 175.16 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 108' ' ' GLY . 56.9 m-20 -106.16 90.94 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.2 t -44.64 95.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' ASP . . . 155.92 173.83 25.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.13 29.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.2 p -170.22 130.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.09 85.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -174.29 141.77 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.008 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 p -170.09 148.46 3.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.71 173.28 42.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -164.74 135.4 4.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 110.002 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -165.16 129.89 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.31 -140.77 7.77 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.43 145.88 4.23 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.41 -139.96 3.92 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.28 131.73 3.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.5 tt -68.78 151.04 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.077 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.13 169.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -159.52 158.23 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.582 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.59 153.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.433 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -103.98 -172.89 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -148.74 142.94 26.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.53 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -133.7 129.93 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' CG ' HG12 ' A' ' 100' ' ' VAL . 37.8 tt0 -95.06 115.51 27.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 t -106.68 133.6 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -112.64 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.432 ' CD1' ' SG ' ' A' ' 61' ' ' CYS . 0.3 OUTLIER -86.22 140.48 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.24 125.14 36.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.62 167.64 39.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.98 161.69 67.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.465 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.02 -16.67 20.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -55.8 5.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -78.65 -30.39 46.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 -120.32 6.33 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CE2' HG11 ' A' ' 99' ' ' VAL . 10.1 m-85 -138.84 14.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 53' ' ' GLU . . . 47.01 57.12 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -149.19 145.35 27.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -125.59 125.91 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 mt -91.27 155.69 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -142.66 111.78 6.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.27 -152.75 7.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.55 -171.68 0.1 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt -93.19 -32.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.2 127.18 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . . . -85.47 -55.36 4.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -37.98 -31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' ALA . 2.0 mm-40 -88.2 141.56 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -49.04 170.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 83' ' ' MET . 15.0 mt -108.56 110.0 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -24.61 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.1 p -134.53 158.31 75.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.59 29.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.6 25.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -96.15 166.84 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.6 t -76.75 87.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -48.28 -54.42 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.337 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.3 t80 -152.69 169.76 21.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.567 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.2 mt -139.4 140.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 2.3 mt-10 -78.76 142.72 61.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 138.41 22.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.21 9.93 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.524 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -86.91 179.58 1.73 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 30' ' ' GLY . . . -60.31 -24.38 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.87 -40.67 11.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.01 -26.06 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' LEU . 3.7 m -62.91 -27.46 69.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.18 -60.68 0.4 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.71 -29.17 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.537 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 8.8 tp -71.2 130.49 41.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -154.5 164.93 37.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.59 134.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.56 -24.9 14.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.449 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 16.8 m-20 -55.74 123.48 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.465 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -80.58 140.72 35.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.8 t -106.69 102.06 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 13.1 mt -69.41 -60.5 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 p -134.78 171.74 13.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.511 ' CG2' ' CD2' ' A' ' 90' ' ' LEU . 96.3 mt -134.29 111.63 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.11 6.87 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.42 -0.75 26.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 73' ' ' ILE . 5.6 mm -98.97 126.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.24 132.89 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.8 p -81.07 -30.83 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.59 -14.79 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.09 39.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.88 -165.44 31.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 p -100.83 168.73 9.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.462 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.81 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -42.47 33.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -45.35 28.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.6 92.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.451 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.0 m-80 -63.69 -54.09 41.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -47.4 -35.52 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.51 -51.81 63.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.511 ' CD2' ' CG2' ' A' ' 73' ' ' ILE . 1.0 OUTLIER -53.4 -36.26 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.69 -71.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -46.29 -39.45 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.464 ' CB ' HG21 ' A' ' 99' ' ' VAL . . . -61.68 -42.42 98.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -58.75 -34.67 71.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 25.3 mt -73.76 -5.94 43.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.75 -14.67 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 8.2 m170 71.72 11.84 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.569 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.41 150.29 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.573 HG11 ' CE2' ' A' ' 29' ' ' PHE . 11.0 p -160.35 145.78 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.481 HG12 ' CG ' ' A' ' 18' ' ' GLU . 97.5 t -114.08 130.85 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -124.19 145.73 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.51 115.22 24.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 68' ' ' ASP . 1.5 t -106.56 141.89 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 2.3 tt0 -110.58 122.17 47.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.53 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 5.3 p90 -160.56 159.79 31.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.68 108.85 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -66.78 81.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.74 162.65 37.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 157.07 42.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.9 t 44.66 74.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.14 149.98 47.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -165.38 152.07 10.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.99 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.75 105.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.21 145.42 15.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.04 137.09 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -126.0 156.15 40.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.62 154.73 16.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.81 -123.64 1.92 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.42 147.19 7.25 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.14 164.63 32.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.33 141.37 15.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 13' ' ' HIS . 7.1 p -133.7 143.84 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.407 ' N ' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -149.21 110.86 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.626 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m 62.54 170.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.51 159.6 23.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.347 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -131.31 141.52 49.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.467 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -125.95 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -100.84 121.0 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.4 t -112.43 124.09 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.92 124.03 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 21.6 mt -114.93 155.77 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 97' ' ' HIS . 54.0 t -135.54 151.58 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.98 -179.65 45.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 166.31 17.02 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.451 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 18.0 Cg_endo -75.01 -14.52 21.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -95.56 -55.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 m -72.89 -19.41 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.3 -116.13 7.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CE2' HG11 ' A' ' 99' ' ' VAL . 14.5 m-85 -135.11 -88.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.45 66.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.476 ' CD1' HD22 ' A' ' 33' ' ' LEU . 1.3 pp -151.69 146.95 26.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -123.48 120.86 34.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 31' ' ' LEU . 75.9 mt -84.67 169.64 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -145.94 120.92 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.82 -158.32 9.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -37.47 151.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.76 -58.16 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -70.2 152.46 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.98 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.89 90.54 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.69 116.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.6 m -47.71 149.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 99.8 mt -102.06 115.55 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -19.66 53.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.55 164.2 45.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 134.83 18.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 159.13 41.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -119.43 172.2 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.501 ' CG1' ' HA ' ' A' ' 66' ' ' VAL . 41.1 t -86.1 136.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.416 ' C ' ' HB ' ' A' ' 66' ' ' VAL . 14.2 t -101.26 -32.54 10.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 108.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -162.46 159.06 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 65' ' ' GLN . 9.0 mt -132.31 122.66 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.72 140.97 85.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.86 27.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.43 13.54 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -86.8 179.1 1.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.97 -39.22 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -29.45 70.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.12 -41.62 25.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -51.64 -27.51 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.9 m -63.58 -28.33 69.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.69 -56.03 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -34.05 76.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -67.39 135.2 52.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.452 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 3.0 pt20 -178.29 146.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.501 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 0.1 OUTLIER -36.22 147.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 66' ' ' VAL . . . 89.2 13.73 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 65' ' ' GLN . 37.8 m-20 -112.93 121.41 44.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.484 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 4.8 mtp180 -67.78 164.6 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.461 ' CG1' ' CG1' ' A' ' 73' ' ' ILE . 10.8 t -139.31 78.79 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 22.1 mt -39.11 -67.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -128.17 169.55 14.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.461 ' CG1' ' CG1' ' A' ' 70' ' ' VAL . 94.5 mt -135.77 110.64 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.8 OUTLIER 75.64 4.22 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 -1.75 24.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -99.51 128.96 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.13 124.82 27.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 p -74.52 -19.56 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.92 -16.16 59.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -107.33 30.83 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.56 -175.49 27.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 p -100.77 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 0.807 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.417 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -46.1 -59.79 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.25 -55.81 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.63 -55.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.98 -49.02 42.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.417 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 22.5 m-80 -63.92 -39.75 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.5 -44.51 90.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.4 mt -52.73 -39.62 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 31' ' ' LEU . 4.7 mt -65.95 -28.45 68.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -60.37 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -53.62 -31.67 48.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 99' ' ' VAL . . . -66.8 -42.46 85.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.83 78.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 25' ' ' PRO . 33.2 mt -59.82 -16.06 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 97' ' ' HIS . . . -95.48 -6.91 39.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.402 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 17.3 m-70 67.8 7.68 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -154.37 162.17 41.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.582 HG11 ' CE2' ' A' ' 29' ' ' PHE . 9.0 p -160.66 167.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 101' ' ' LEU . 79.9 t -138.26 141.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.418 ' N ' HG13 ' A' ' 100' ' ' VAL . 12.5 mt -130.51 149.48 52.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -125.76 114.56 18.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.73 148.38 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.484 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 11.7 tt0 -119.54 124.67 46.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.467 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 2.3 p90 -154.08 -176.71 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -119.4 11.83 12.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 59.49 84.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -175.51 162.03 31.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.61 16.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 89.0 p -134.12 167.76 20.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 m -149.16 158.74 44.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.051 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 62.88 125.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 p -137.41 159.1 42.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.7 101.86 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -155.36 162.06 40.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -95.55 163.09 13.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.971 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.7 -91.04 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.53 -176.35 41.72 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.94 -128.38 3.59 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -163.32 156.32 18.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 pp -122.47 156.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.74 137.39 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -45.83 -57.3 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.604 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -84.72 172.2 11.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -99.88 153.72 18.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -136.59 141.32 43.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.496 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 1.2 t -122.17 127.22 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -103.55 122.73 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.5 t -122.55 133.62 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -100.94 97.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.42 148.53 23.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.52 108.39 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.243 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.35 -179.68 16.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -94.63 158.5 35.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -14.73 21.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -53.01 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.61 -122.59 6.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.648 ' CZ ' ' CG1' ' A' ' 99' ' ' VAL . 28.8 m-85 -130.55 11.4 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.54 59.53 5.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -158.05 140.54 14.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -113.53 128.1 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 76.5 mt -101.88 131.2 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -105.35 123.37 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.21 -169.32 12.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -39.09 147.76 0.13 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.94 -45.73 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.05 111.28 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.24 -40.97 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.0 p -69.91 -166.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 64.37 127.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -51.39 155.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 mt -91.54 107.12 18.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -25.35 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 163.66 49.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.76 30.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 142.93 28.46 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -106.43 159.44 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 66' ' ' VAL . 31.2 t -71.66 138.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.61 -47.89 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -145.03 157.22 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 59' ' ' GLU . 11.2 mt -134.64 126.57 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.52 146.01 99.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.24 21.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.95 12.4 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.67 -179.89 1.67 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 31' ' ' LEU . . . -56.13 -23.27 33.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 9.9 tp10 -91.96 -43.51 9.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.37 -35.29 37.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 t -63.6 -28.57 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.11 -59.71 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.26 -41.95 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.99 131.38 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.91 168.94 25.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.479 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 72.3 t -61.99 131.29 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.73 -29.14 9.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.26 174.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 104' ' ' GLU . 1.5 mpp_? -123.32 160.78 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.0 t -135.43 95.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 104' ' ' GLU . 25.2 mt -67.28 -60.15 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 p -130.82 161.42 31.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.026 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 93.3 mt -133.58 113.62 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.504 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 1.3 t-20 71.79 8.28 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.27 5.64 34.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.1 mm -107.6 120.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.15 125.29 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.0 p -65.65 -28.33 69.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.33 -12.48 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -105.53 36.79 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.67 165.69 37.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.9 p -87.4 159.98 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.447 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -38.12 -59.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -48.13 -52.74 19.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.32 -40.11 11.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.18 -50.0 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.447 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 21.9 m-80 -61.9 -35.44 78.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -71.22 -45.17 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.83 -27.99 46.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' A' ' 29' ' ' PHE . 6.3 mt -78.18 -33.78 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -51.31 -41.8 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.504 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -64.82 -29.14 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.64 -30.14 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.5 mt -75.86 -6.8 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.23 -17.54 16.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.3 m170 74.28 8.3 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -153.35 137.89 16.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.648 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 12.8 p -149.77 156.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.96 127.88 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.5 OUTLIER -115.01 134.75 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.07 110.94 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 69' ' ' ARG . 1.1 t -105.87 146.29 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.49 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.0 tt0 -114.62 129.28 56.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.496 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 1.8 p90 -155.13 172.12 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -106.03 12.41 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 t 53.75 85.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -138.32 170.63 23.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 79.54 2.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 94.6 p -39.97 99.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.6 t 64.35 79.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.545 ' O ' HG23 ' A' ' 16' ' ' THR . 1.5 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' GLU . 13.2 p -157.07 161.06 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.637 HG21 HD11 ' A' ' 63' ' ' LEU . 5.2 t -135.67 135.92 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.752 ' HG3' HG13 ' A' ' 100' ' ' VAL . 29.8 tt0 -95.58 117.14 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.598 ' O ' HD22 ' A' ' 101' ' ' LEU . 50.9 t -103.05 110.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 100' ' ' VAL . 62.6 t -95.82 112.09 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.538 ' HB2' HG12 ' A' ' 99' ' ' VAL . 15.9 mt -109.21 148.87 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -133.85 146.03 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 108.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 97' ' ' HIS . . . 178.32 177.6 47.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -89.43 165.4 25.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.822 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.5 Cg_endo -74.93 -16.05 20.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.059 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.08 -55.9 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -12.93 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.29 -127.38 42.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.442 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 11.3 m-85 -123.9 -88.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.644 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 147.45 69.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -163.84 145.55 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -121.68 134.1 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.43 153.5 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.1 tt0 -128.33 123.28 33.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.29 -152.92 6.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.53 158.13 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -70.63 -48.24 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.1 153.47 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.0 -52.61 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.9 p -68.31 77.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.93 137.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -59.78 163.19 4.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 83' ' ' MET . 77.6 mt -112.01 118.83 36.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.6 m -78.36 -24.44 46.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.34 163.34 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.03 138.43 22.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.0 145.78 31.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.764 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.77 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -97.1 166.03 11.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.803 HG11 HD11 ' A' ' 52' ' ' ILE . 23.9 t -73.65 82.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -42.15 -57.89 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 8.5 t80 -150.98 167.76 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.803 HD11 HG11 ' A' ' 49' ' ' VAL . 42.7 mt -136.63 145.56 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.5 mt-10 -81.79 138.28 46.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.77 14.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.8 11.82 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -82.76 178.06 2.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.1 Cg_endo -75.03 -39.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -63.7 -28.77 70.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -81.88 -38.04 25.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -54.4 -29.67 49.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 108.307 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.82 -59.89 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.637 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -44.03 -36.55 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.2 144.06 38.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 13.9 pt20 -170.83 164.44 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.04 131.98 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.42 -36.54 4.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 11.2 m-20 -46.62 170.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.947 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -123.08 156.3 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.26 93.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 104' ' ' GLU . 38.3 mt -62.74 -62.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.9 p -134.36 169.16 17.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.698 HG22 ' OD1' ' A' ' 74' ' ' ASN . 67.5 mt -133.74 111.65 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.698 ' OD1' HG22 ' A' ' 73' ' ' ILE . 0.9 OUTLIER 68.73 12.02 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.3 -1.46 32.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.88 116.71 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.78 136.9 56.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.6 p -82.93 -28.66 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.0 -18.93 61.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -103.97 33.03 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.13 -172.45 25.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.2 p -108.55 151.17 26.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.73 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.51 -58.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -47.72 -57.17 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -43.71 -48.19 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.62 -50.96 68.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -62.77 -46.48 87.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -60.01 -39.86 87.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.09 -28.83 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.774 HD23 HG21 ' A' ' 99' ' ' VAL . 4.3 mt -78.05 -29.14 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -58.11 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -52.3 -39.97 61.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.704 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -60.93 -44.26 97.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.12 76.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.822 HD23 ' HB3' ' A' ' 25' ' ' PRO . 52.7 mt -61.34 -16.41 45.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -93.62 -13.8 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 6.6 m170 74.19 7.98 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.471 ' CE ' HG13 ' A' ' 20' ' ' VAL . 4.2 tttt -153.31 148.81 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.774 HG21 HD23 ' A' ' 90' ' ' LEU . 4.8 p -149.93 156.31 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.752 HG13 ' HG3' ' A' ' 18' ' ' GLU . 6.5 t -132.86 123.72 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.647 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -114.89 148.88 38.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.69 117.15 27.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -102.08 152.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.603 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.2 tt0 -110.44 145.41 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 25.8 p90 178.44 163.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -138.15 155.75 48.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -133.52 152.14 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.679 ' HG3' HG13 ' A' ' 100' ' ' VAL . 12.7 tt0 -114.93 117.79 31.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.57 127.87 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 100' ' ' VAL . 69.5 t -107.12 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.559 HD12 HD22 ' A' ' 31' ' ' LEU . 14.0 mt -99.84 141.63 32.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.7 148.44 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.284 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.84 178.51 46.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.49 165.41 38.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.958 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.0 -14.93 20.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.52 -49.25 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -76.37 -31.66 58.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.25 -126.19 7.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.616 ' CD2' HG11 ' A' ' 99' ' ' VAL . 11.8 m-85 -135.43 12.56 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 51.1 55.1 20.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.706 HD21 ' CD1' ' A' ' 90' ' ' LEU . 0.7 OUTLIER -149.48 142.25 24.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 0.794 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -124.87 135.76 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.85 158.61 15.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.0 114.53 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.75 -147.32 4.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.29 177.91 0.43 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.0 mm -86.19 -48.38 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -83.41 114.92 21.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.37 -46.14 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -67.14 -167.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 67.71 127.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.3 m -52.43 157.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD11 ' HA ' ' A' ' 83' ' ' MET . 21.3 mt -99.33 115.09 28.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -73.45 -28.14 61.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.5 162.83 55.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.5 Cg_endo -74.93 142.94 28.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 147.92 34.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.873 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -103.63 167.75 9.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.573 HG11 ' CD1' ' A' ' 52' ' ' ILE . 40.7 t -75.56 99.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.3 -53.11 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.339 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 24.9 t80 -151.2 169.35 22.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.575 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 27.1 mt -142.04 141.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -78.93 143.56 62.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 131.27 14.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.69 9.21 7.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -76.4 178.62 1.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.96 -39.41 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.868 ' HB1' HD23 ' A' ' 64' ' ' LEU . . . -63.64 -25.43 68.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 6.1 tm-20 -90.19 -36.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -37.18 70.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.1 m -63.49 -28.33 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.256 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.11 -54.94 2.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLY . 8.1 mt -40.02 -57.1 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.868 HD23 ' HB1' ' A' ' 58' ' ' ALA . 13.7 tp -57.89 139.19 54.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -170.33 151.06 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.8 t -47.74 127.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.36 -39.44 2.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -45.12 166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.932 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -118.36 158.05 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -130.2 94.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 104' ' ' GLU . 35.9 mt -60.49 -62.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 p -128.78 169.88 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.815 HG21 ' CD2' ' A' ' 90' ' ' LEU . 92.6 mt -130.84 110.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.65 7.34 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.88 -0.32 25.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.616 HG21 HD11 ' A' ' 89' ' ' LEU . 3.5 mm -98.64 120.27 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 122.7 19.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 71' ' ' LEU . 25.1 p -69.51 -26.57 64.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.06 -15.66 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -100.91 40.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.07 -170.82 42.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.0 p -103.69 160.46 14.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.431 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.742 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.9 -58.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -42.49 -58.56 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -38.35 -51.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.14 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.2 m120 -62.92 -55.87 22.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -46.09 -34.21 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 76' ' ' ILE . 23.9 mt -66.54 -49.48 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.815 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -55.13 -36.11 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.94 -68.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -49.7 -36.03 23.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -66.06 -37.88 86.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.958 HD23 ' HB3' ' A' ' 25' ' ' PRO . 53.8 mt -66.37 -16.88 64.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.92 40.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 67.88 11.36 8.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.62 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.27 153.21 32.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.616 HG11 ' CD2' ' A' ' 29' ' ' PHE . 12.3 p -161.48 144.15 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.679 HG13 ' HG3' ' A' ' 18' ' ' GLU . 63.6 t -114.19 133.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.31 145.08 47.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 111.64 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -99.77 155.4 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.683 ' HB2' HD11 ' A' ' 71' ' ' LEU . 3.9 tt0 -121.35 136.81 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -169.58 179.8 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 16' ' ' THR . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' GLU . 1.9 p -152.9 134.2 14.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 t -114.97 131.95 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.518 ' CG ' HG13 ' A' ' 100' ' ' VAL . 18.7 tt0 -98.42 118.24 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.586 ' O ' HD22 ' A' ' 101' ' ' LEU . 51.5 t -107.1 134.92 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -115.02 107.12 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 21.7 mt -101.5 147.33 26.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.77 145.78 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.15 -172.77 42.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.38 166.39 13.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.718 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.01 -16.64 20.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.87 -47.63 5.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -82.22 -1.47 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.16 -117.97 3.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.44 -89.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.64 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 151.33 56.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.438 HD21 HD11 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -150.69 141.4 22.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -119.38 130.04 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.6 mt -88.11 156.66 19.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.0 tt0 -141.38 109.54 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -127.56 -155.86 8.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . -134.71 -175.23 13.77 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 36' ' ' GLY . 1.2 mp 59.01 156.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -43.28 150.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.75 -38.5 7.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 1.2 t -106.13 99.47 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.71 ' C ' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER 166.74 137.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.617 ' N ' HG22 ' A' ' 82' ' ' THR . 50.9 m -42.88 151.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 83' ' ' MET . 62.2 mt -104.56 126.69 51.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.1 p -76.84 -27.88 55.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.493 ' CA ' ' OE1' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -134.62 163.33 51.99 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.98 139.54 24.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.01 147.45 33.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.699 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -107.65 171.03 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.559 HG21 HD21 ' A' ' 64' ' ' LEU . 37.6 t -75.57 98.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.58 -52.06 67.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.4 t80 -149.6 169.82 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 81.1 mt -139.31 141.6 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.44 138.08 51.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.83 14.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.61 11.76 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -85.34 178.05 2.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.97 -40.34 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -63.31 -22.77 67.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -88.62 -38.15 15.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.44 -24.84 65.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.57 -28.09 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 -57.77 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.559 HD21 HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -72.58 134.51 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.443 ' HA ' HD12 ' A' ' 52' ' ' ILE . 26.4 pt20 -167.31 154.77 8.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 55.7 t -45.27 130.98 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.75 -33.12 5.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -53.59 132.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.945 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.7 mtp180 -85.41 163.66 18.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.41 88.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 104' ' ' GLU . 50.7 mt -58.11 -59.41 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 11.1 p -130.83 164.82 24.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 67.3 mt -134.78 111.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER 76.47 2.06 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.06 -3.52 20.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.518 ' HB ' HD13 ' A' ' 89' ' ' LEU . 12.5 mm -98.35 126.38 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.51 126.24 30.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 71' ' ' LEU . 20.5 p -71.24 -30.73 66.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' OE1' ' CA ' ' A' ' 45' ' ' SER . 4.3 mm-40 -66.69 -21.17 66.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.62 17.93 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.44 -170.1 12.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.71 HG22 ' C ' ' A' ' 41' ' ' GLU . 8.1 p -112.41 152.01 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.504 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.26 -58.24 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -57.01 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -43.85 -51.94 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.59 -47.01 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.18 -49.25 72.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.45 -40.93 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.518 HD13 ' HB ' ' A' ' 76' ' ' ILE . 37.2 mt -56.94 -33.77 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.863 HD23 HG21 ' A' ' 99' ' ' VAL . 2.6 mt -72.99 -36.18 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 2.5 mtt-85 -61.88 -61.09 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -49.45 -52.28 30.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.674 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -48.39 -47.97 37.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -53.78 -44.54 70.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.718 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.2 mt -60.95 -17.23 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.08 -13.72 24.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 m170 74.95 10.77 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 147.64 25.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.863 HG21 HD23 ' A' ' 90' ' ' LEU . 7.9 p -151.72 148.07 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.734 ' C ' HD13 ' A' ' 101' ' ' LEU . 87.8 t -121.15 133.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.734 HD13 ' C ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -125.87 153.47 44.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.56 116.31 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.945 HG13 ' O ' ' A' ' 69' ' ' ARG . 2.0 t -99.35 158.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 71' ' ' LEU . 19.9 tt0 -119.42 132.14 55.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 6.5 p90 -173.85 169.99 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 2.4 p -135.89 157.02 47.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.403 HG22 ' HB ' ' A' ' 103' ' ' VAL . 6.7 t -133.42 142.53 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.717 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.0 tt0 -106.98 116.53 32.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.616 HG13 ' SG ' ' A' ' 61' ' ' CYS . 66.1 t -108.26 132.7 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 t -108.93 101.53 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.513 HD12 ' CD2' ' A' ' 31' ' ' LEU . 10.7 mt -95.37 150.21 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -135.23 145.32 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.3 37.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.75 167.07 12.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.488 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.81 -47.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.55 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.11 -152.11 46.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -103.33 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.739 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.99 58.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 90' ' ' LEU . 1.5 pp -155.72 133.18 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' CYS . 3.0 mm-40 -109.43 126.65 53.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 70' ' ' VAL . 73.6 mt -89.57 147.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.843 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.8 tt0 -129.98 122.12 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.36 153.73 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . 41.95 94.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' GLY . 5.8 mt -39.48 -39.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -92.94 168.04 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.34 -57.81 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 41.2 p -67.26 91.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER 166.12 145.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.6 m -66.64 155.42 37.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.803 HD11 ' HA ' ' A' ' 83' ' ' MET . 25.3 mt -102.38 109.95 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' OE1' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -72.4 -23.49 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 p -134.52 163.53 50.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -75.0 141.23 26.39 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.888 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -94.63 169.83 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 52' ' ' ILE . 20.0 t -83.24 85.72 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -46.1 -59.6 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 20.2 t80 -144.12 170.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 49' ' ' VAL . 7.5 mt -141.45 138.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -72.05 139.98 82.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.07 17.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.41 13.04 8.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.69 178.62 2.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -38.67 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -65.3 -25.19 67.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -85.8 -41.47 15.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -53.75 -26.51 23.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 19' ' ' VAL . 1.2 m -63.29 -28.34 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 -57.84 0.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.38 -31.51 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -83.47 133.17 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 52' ' ' ILE . 6.6 mt-30 -164.42 175.56 9.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.97 131.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.06 -42.86 1.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.66 150.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.991 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.6 mpp_? -106.63 161.35 14.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.444 HG21 HD21 ' A' ' 33' ' ' LEU . 91.7 t -134.18 88.65 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' A' ' 104' ' ' GLU . 52.3 mt -55.13 -57.93 9.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 62.6 p -132.11 167.36 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.764 HG21 ' CD2' ' A' ' 90' ' ' LEU . 95.7 mt -130.82 110.89 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.99 8.2 6.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.96 0.88 27.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.446 HG21 HD11 ' A' ' 89' ' ' LEU . 5.8 mm -98.92 118.43 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.78 118.06 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.3 p -66.65 -23.79 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 44' ' ' SER . 2.8 mm-40 -72.35 -24.68 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -97.3 16.27 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.39 -178.22 19.01 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.3 p -99.78 157.18 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.803 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.97 -58.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -48.92 -56.01 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -37.92 -55.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.34 -47.67 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' LEU . 6.1 m120 -65.48 -61.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -41.36 -35.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 76' ' ' ILE . 28.8 mt -63.74 -49.06 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.764 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -56.46 -28.38 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -62.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.66 -28.43 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HB1' HG23 ' A' ' 99' ' ' VAL . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.24 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.488 HD23 ' CB ' ' A' ' 25' ' ' PRO . 64.5 mt -60.7 -15.55 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.5 -9.93 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.7 m80 68.21 8.29 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -153.87 158.51 40.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.472 HG13 HD21 ' A' ' 101' ' ' LEU . 9.9 p -161.84 164.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.717 HG13 ' HG3' ' A' ' 18' ' ' GLU . 39.8 t -132.47 120.24 41.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.796 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -110.11 133.61 53.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -110.99 110.93 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.991 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.8 t -98.03 156.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.65 ' CG ' HD11 ' A' ' 71' ' ' LEU . 4.9 tt0 -124.79 129.98 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -161.3 166.75 27.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.7 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -140.62 143.11 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -123.81 142.26 51.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.645 ' HG3' HG13 ' A' ' 100' ' ' VAL . 19.5 tt0 -109.0 121.49 45.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.578 ' O ' HD22 ' A' ' 101' ' ' LEU . 66.8 t -114.31 131.87 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG22 HG22 ' A' ' 100' ' ' VAL . 76.8 t -112.3 109.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 58' ' ' ALA . 71.5 mt -100.53 141.66 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 113.1 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.3 170.16 32.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 50.4 m-20 -81.09 155.77 72.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.969 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -33.46 4.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.02 -56.46 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -85.17 -25.46 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 88.69 -125.16 7.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -127.06 -85.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.89 59.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.653 HD11 HD11 ' A' ' 90' ' ' LEU . 1.9 pp -155.24 130.66 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -111.12 127.56 55.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.793 HD21 HG21 ' A' ' 70' ' ' VAL . 27.9 mt -88.49 160.5 17.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.67 112.55 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.36 -148.23 4.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.65 177.42 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 mp -89.86 -45.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -82.65 118.61 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -44.57 -44.8 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -70.57 -168.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' THR . 2.2 mt-10 67.18 108.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.574 ' N ' HG22 ' A' ' 82' ' ' THR . 17.1 m -39.1 158.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.851 HD11 ' HA ' ' A' ' 83' ' ' MET . 65.2 mt -100.58 117.37 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -79.18 -22.51 44.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 p -134.27 157.65 77.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.6 Cg_endo -74.99 138.01 22.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.02 139.91 24.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.836 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -91.61 165.38 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 52' ' ' ILE . 79.0 t -74.55 96.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 t -57.0 -55.98 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.1 t80 -147.95 168.85 21.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.606 HD11 HG11 ' A' ' 49' ' ' VAL . 79.1 mt -137.24 143.16 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -76.31 140.53 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 125.27 9.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.61 20.02 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.498 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.88 177.64 2.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.051 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.92 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.962 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -60.16 -34.61 73.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLY . 4.6 tp10 -78.18 -41.97 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -50.54 -36.06 32.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.417 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 14.8 m -63.27 -28.34 69.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 76.55 -53.84 3.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -43.26 -39.62 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.962 HD13 ' HB1' ' A' ' 58' ' ' ALA . 2.2 tt -71.94 132.35 44.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 8.1 pt20 -162.27 154.77 19.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.17 136.11 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.9 -35.23 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 52.5 m-20 -45.47 140.85 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.836 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.29 134.39 40.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.793 HG21 HD21 ' A' ' 33' ' ' LEU . 69.1 t -103.62 102.68 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' A' ' 104' ' ' GLU . 28.1 mt -72.01 -60.04 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 p -133.41 164.57 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 33' ' ' LEU . 96.7 mt -135.01 112.31 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.561 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.4 t-20 74.03 8.8 4.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.3 5.14 34.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.456 HG21 HD11 ' A' ' 89' ' ' LEU . 3.4 mm -107.71 120.23 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.42 121.39 19.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.9 p -61.65 -32.11 72.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.11 -15.5 62.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.97 32.35 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.11 -174.18 37.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 42' ' ' THR . 79.4 p -102.14 156.63 17.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.851 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.95 -58.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -47.76 -59.89 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.22 -46.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -57.96 -51.81 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -61.88 -40.22 94.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 76' ' ' ILE . 25.7 mt -58.27 -34.54 70.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.735 HD23 HG21 ' A' ' 99' ' ' VAL . 3.0 mt -70.85 -35.05 72.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -58.1 -65.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -48.39 -48.58 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -52.33 -49.06 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 25' ' ' PRO . . . -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.969 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.8 mt -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -90.6 -9.84 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 66.67 15.34 10.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -153.13 142.17 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.735 HG21 HD23 ' A' ' 90' ' ' LEU . 6.3 p -150.82 147.7 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 18' ' ' GLU . 73.7 t -119.26 126.79 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.77 144.9 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.56 112.24 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.69 145.17 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.729 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.8 tt0 -109.08 142.19 40.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -179.19 165.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' THR . 1.8 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 15' ' ' GLU . 3.6 p -157.61 140.54 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -125.97 133.94 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' CG ' HG13 ' A' ' 100' ' ' VAL . 33.4 tt0 -90.52 116.44 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.73 HG11 HD22 ' A' ' 64' ' ' LEU . 69.1 t -103.69 106.31 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.655 HG22 HG22 ' A' ' 100' ' ' VAL . 42.2 t -99.08 112.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -110.98 150.66 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 m -129.98 112.59 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.84 169.24 26.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.93 162.54 57.02 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.83 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.0 -14.16 21.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -53.92 4.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.1 p -78.09 -25.09 47.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.06 -125.79 7.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 31.7 m-85 -131.16 11.19 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 48.61 50.07 25.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.714 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -147.43 142.37 26.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -119.18 145.76 45.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD21 HG21 ' A' ' 70' ' ' VAL . 39.4 mt -105.5 141.42 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.497 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.5 tt0 -113.7 125.28 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.75 -148.87 5.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.21 155.95 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.62 -48.85 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.11 163.1 27.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' ' 84' ' ' GLU . . . -91.59 -49.31 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.2 p -74.77 90.71 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.48 136.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -69.8 158.07 36.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 83' ' ' MET . 31.2 mt -101.2 111.16 23.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 p -76.29 -25.12 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.3 163.47 50.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.5 Cg_endo -74.93 140.85 26.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 158.97 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -113.38 162.63 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 52' ' ' ILE . 25.3 t -65.93 82.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 5.5 t -43.49 -60.49 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.598 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 37.0 t80 -143.56 171.39 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.598 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.1 mt -140.7 140.32 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.28 142.38 35.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 142.7 27.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.771 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.32 15.51 5.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -91.11 178.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.714 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -64.8 -25.9 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.0 tp10 -91.92 -38.32 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -33.79 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.53 69.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.078 . . . . 0.0 108.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 69.77 -58.28 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.52 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -49.32 -42.97 43.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.73 HD22 HG11 ' A' ' 19' ' ' VAL . 6.9 tp -64.81 130.22 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -160.3 156.17 25.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -42.84 132.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.97 -40.56 2.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.643 ' OD2' HD12 ' A' ' 64' ' ' LEU . 2.4 m-20 -46.57 128.95 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.904 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -83.18 170.13 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.453 HG12 HG21 ' A' ' 78' ' ' THR . 91.2 t -138.75 88.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.552 HD11 ' HG3' ' A' ' 104' ' ' GLU . 43.4 mt -56.05 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.0 p -132.29 165.47 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.709 HG21 ' CD2' ' A' ' 90' ' ' LEU . 89.4 mt -124.1 110.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.1 6.23 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.93 4.9 25.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.9 mm -106.62 120.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.45 133.93 56.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.453 HG21 HG12 ' A' ' 70' ' ' VAL . 47.0 p -78.18 -13.3 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 40.9 mt-10 -84.86 -14.82 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.29 19.94 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.89 155.47 26.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 85' ' ' GLU . 82.3 p -71.8 166.85 21.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.46 ' HA ' HD11 ' A' ' 43' ' ' LEU . 8.8 tpt -49.21 -22.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG3' ' HB1' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -85.82 -29.28 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -62.86 -47.67 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.68 76.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.03 -52.81 57.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -47.85 -33.82 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 89' ' ' LEU . 15.4 mt -65.7 -50.77 63.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.709 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -55.03 -36.69 65.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.614 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -55.96 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -49.23 -46.42 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.17 -30.08 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -68.41 -33.57 74.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' A' ' 25' ' ' PRO . 66.2 mt -70.66 -14.87 62.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.38 -14.96 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 73.83 9.4 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.89 144.31 23.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 13.1 p -150.8 148.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.655 HG22 HG22 ' A' ' 20' ' ' VAL . 45.4 t -121.36 141.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mt -133.31 151.78 51.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.81 111.61 15.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.9 t -93.17 160.27 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.552 ' HG3' HD11 ' A' ' 71' ' ' LEU . 5.6 tt0 -123.06 132.75 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 6.9 p90 -176.57 170.52 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 16' ' ' THR . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' GLU . 2.7 p -154.91 147.71 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -119.73 136.0 54.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.581 ' HG3' HG13 ' A' ' 100' ' ' VAL . 17.4 tt0 -103.5 119.05 38.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG1' ' SG ' ' A' ' 61' ' ' CYS . 86.5 t -106.74 158.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.7 t -130.01 97.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.641 HD21 ' CB ' ' A' ' 58' ' ' ALA . 1.0 OUTLIER -88.73 133.21 34.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -119.73 145.2 46.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 108.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.35 178.03 48.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.52 167.17 17.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -74.95 -14.47 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -105.15 -44.79 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -74.34 -16.22 60.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.53 -141.86 48.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -117.92 -90.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.853 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.17 66.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.69 135.4 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -117.21 132.73 56.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 70' ' ' VAL . 22.5 mt -95.83 160.17 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -137.07 112.05 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.43 -143.08 3.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.68 179.74 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mm -99.52 -56.68 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -64.6 125.44 24.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.67 -43.51 36.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -72.7 -168.62 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 68.03 116.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -55.53 161.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 83' ' ' MET . 72.5 mt -93.86 123.11 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -26.19 32.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.36 163.32 52.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.01 138.08 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.02 150.76 38.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -99.09 161.75 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 52' ' ' ILE . 40.7 t -72.71 86.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 t -47.11 -56.98 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.3 t80 -149.7 168.61 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 8.3 mt -138.76 140.21 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.06 138.42 72.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.6 19.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 68.85 9.0 7.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.0 178.44 2.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -59.38 -24.47 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.3 -42.07 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -54.96 -23.22 18.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 8.3 t -63.33 -27.88 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.08 -58.61 0.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -50.15 -40.65 47.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.34 159.09 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 171.81 158.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.4 133.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.44 -41.38 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.55 159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.753 ' HG3' HD23 ' A' ' 48' ' ' LEU . 1.3 mpp_? -117.27 118.29 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 55.9 t -86.07 112.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 104' ' ' GLU . 20.0 mt -79.41 -57.22 3.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.1 p -136.89 167.18 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.573 HD11 HD11 ' A' ' 33' ' ' LEU . 69.1 mt -135.55 112.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 74.9 8.66 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.63 -0.68 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.1 mm -102.18 127.67 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.62 131.65 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 p -68.96 -27.15 65.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -67.09 -13.82 62.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.81 32.18 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.77 165.22 38.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.2 p -88.64 160.35 17.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.465 ' HA ' HD11 ' A' ' 43' ' ' LEU . 6.6 tpt -43.31 -42.47 4.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.2 -40.74 78.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -53.45 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.77 -40.82 80.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -67.41 -45.16 76.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.3 mt -52.46 -32.07 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.655 ' CD2' HG21 ' A' ' 99' ' ' VAL . 6.6 mt -76.58 -37.61 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -62.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.587 ' HA ' HD12 ' A' ' 95' ' ' LEU . 27.4 t70 -53.35 -38.54 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 96' ' ' ALA . . . -60.99 -45.8 93.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.45 -35.62 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 92' ' ' ASP . 16.9 mt -70.0 -18.67 63.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -86.38 -9.76 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 70.16 7.34 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.579 ' NZ ' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -153.47 156.22 37.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.655 HG21 ' CD2' ' A' ' 90' ' ' LEU . 10.9 p -156.24 149.65 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.581 HG13 ' HG3' ' A' ' 18' ' ' GLU . 72.7 t -116.89 125.9 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.794 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.9 141.57 47.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.09 112.76 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.9 t -100.22 151.5 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.676 ' HB2' HD11 ' A' ' 71' ' ' LEU . 35.6 tt0 -110.57 145.54 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.1 p90 178.39 158.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.475 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -127.49 131.83 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.596 ' CG ' HG13 ' A' ' 100' ' ' VAL . 31.3 tt0 -97.91 114.15 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.797 ' CG1' HD13 ' A' ' 21' ' ' LEU . 3.3 t -103.69 132.49 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.46 97.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.797 HD13 ' CG1' ' A' ' 19' ' ' VAL . 2.0 mp -90.66 132.35 35.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -121.65 152.55 39.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 -167.04 37.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 166.89 10.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -101.03 -51.16 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -72.33 -30.46 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.7 -141.09 26.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 94' ' ' ALA . 12.3 m-85 -117.57 -92.58 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.815 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 147.21 64.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.088 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.868 HD21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -155.18 137.95 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -120.1 124.94 47.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 70' ' ' VAL . 25.4 mt -86.81 160.69 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -140.85 111.4 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.06 -156.84 7.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -43.85 142.32 2.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.16 -38.32 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -87.46 153.05 21.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.82 -36.84 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.0 p -82.74 80.36 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.79 123.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 82' ' ' THR . 48.6 m -46.06 157.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.792 HD11 ' HA ' ' A' ' 83' ' ' MET . 24.0 mt -102.98 119.15 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -88.87 -18.64 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.8 p -134.41 157.03 78.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -75.03 136.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.01 146.47 32.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -95.43 166.86 11.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG11 ' CD1' ' A' ' 52' ' ' ILE . 24.7 t -75.45 87.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 t -46.7 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 5.8 t80 -145.66 167.92 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.587 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 13.7 mt -137.43 146.45 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.65 139.31 35.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.406 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.3 Cg_endo -74.98 132.58 15.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 2.4 t0 74.81 6.31 4.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.51 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.02 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -57.5 -23.51 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -87.11 -43.15 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -55.27 -18.23 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.788 ' SG ' HG13 ' A' ' 19' ' ' VAL . 15.9 m -62.96 -25.81 68.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.32 -61.07 0.6 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.009 HD13 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.82 -27.62 66.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.009 ' N ' HD13 ' A' ' 63' ' ' LEU . 3.8 tp -72.3 136.76 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -167.89 150.32 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 10.4 t -43.4 128.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.39 35.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 3.2 m-20 -74.57 129.31 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.732 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -80.71 169.14 18.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.553 HG21 HD21 ' A' ' 33' ' ' LEU . 90.1 t -139.44 88.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.562 HD11 ' CG ' ' A' ' 104' ' ' GLU . 53.7 mt -54.09 -63.7 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 p -127.64 167.6 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 33' ' ' LEU . 96.7 mt -134.56 111.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 75.55 3.18 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -1.1 23.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.7 mm -104.54 126.27 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.763 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.54 130.46 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 50.1 p -72.54 -14.75 61.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -84.01 -19.64 34.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -94.07 43.02 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.15 -171.09 40.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 42' ' ' THR . 28.6 p -102.1 159.72 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.792 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -42.75 -64.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -45.0 -58.96 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -38.99 -45.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -58.2 -49.09 78.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.9 m120 -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 tp60 -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 89' ' ' LEU . 11.8 mt -49.05 -32.25 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.868 HD11 HD21 ' A' ' 31' ' ' LEU . 3.1 mt -74.23 -37.27 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -56.5 -59.07 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.08 -41.35 83.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.546 ' O ' ' HB3' ' A' ' 96' ' ' ALA . . . -57.13 -50.01 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -51.62 -40.55 60.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 86.9 mt -62.2 -21.3 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -81.11 -20.87 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 96' ' ' ALA . 1.4 m-70 85.25 -4.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.563 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 152.06 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.481 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 8.2 p -156.42 151.61 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.596 HG13 ' CG ' ' A' ' 18' ' ' GLU . 98.9 t -113.71 129.83 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.43 ' CD2' HG12 ' A' ' 73' ' ' ILE . 54.2 mt -117.72 143.96 45.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -122.61 113.77 19.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 69' ' ' ARG . 5.5 t -101.68 161.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.562 ' CG ' HD11 ' A' ' 71' ' ' LEU . 6.6 tt0 -132.44 112.86 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.473 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 2.6 p90 -146.12 167.55 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.4 mp0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -143.5 151.92 40.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.8 t -126.69 150.34 49.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.633 ' HG3' HG13 ' A' ' 100' ' ' VAL . 7.1 tt0 -112.8 117.69 32.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.482 ' O ' HD22 ' A' ' 101' ' ' LEU . 59.6 t -105.22 129.5 57.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 100' ' ' VAL . 85.4 t -114.37 120.61 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 58' ' ' ALA . 77.4 mt -117.04 144.9 44.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.74 112.94 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.07 -174.95 17.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.69 164.3 19.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.998 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -74.97 -22.21 15.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -54.86 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -74.46 -7.89 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.87 -138.73 44.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 10.9 m-85 -115.75 -87.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.694 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.45 66.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 2.6 pp -161.12 134.51 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -113.31 131.88 55.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.825 HD21 HG21 ' A' ' 70' ' ' VAL . 39.8 mt -93.95 159.26 15.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 tt0 -139.86 114.88 9.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.87 6.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.5 157.3 0.48 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mt -67.18 -51.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -82.81 136.37 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -80.2 -44.4 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.4 p -68.47 78.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.47 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -57.1 160.84 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.774 HD11 ' HA ' ' A' ' 83' ' ' MET . 45.2 mt -109.02 119.49 39.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -25.78 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.434 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 1.5 p -134.37 161.7 62.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -74.97 139.94 24.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.02 139.38 24.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.808 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -91.21 164.46 13.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 52' ' ' ILE . 27.0 t -75.15 95.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.47 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 108.281 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 6.1 t80 -153.01 167.33 29.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 17.4 mt -136.83 147.18 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.0 OUTLIER -79.06 138.39 56.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.4 Cg_endo -74.95 122.26 7.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 76.34 17.18 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -83.22 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.029 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.95 -43.15 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.993 ' HB1' HD22 ' A' ' 64' ' ' LEU . . . -58.91 -31.75 68.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 10.3 tp10 -83.08 -37.98 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -53.0 -39.13 62.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 m -63.07 -29.17 70.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 108.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.96 -53.07 2.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' GLY . 5.9 mt -38.1 -52.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.993 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.1 tp -67.31 143.14 56.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 2.0 mt-30 -168.34 163.42 12.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.65 129.92 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.5 -30.13 9.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.64 173.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.808 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -128.15 122.16 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.825 HG21 HD21 ' A' ' 33' ' ' LEU . 69.4 t -91.24 113.5 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 104' ' ' GLU . 19.3 mt -80.15 -54.92 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.6 p -142.38 167.42 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.779 HG21 ' CD2' ' A' ' 90' ' ' LEU . 63.5 mt -129.52 111.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 68.33 13.43 9.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.0 4.23 41.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 89' ' ' LEU . 3.2 mm -99.98 111.43 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 115.08 5.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 p -61.46 -16.46 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 45' ' ' SER . 3.7 mm-40 -82.01 -16.52 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -102.57 24.73 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.22 -162.21 11.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 p -112.82 154.41 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.774 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.32 -61.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.555 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -44.11 -56.0 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.91 -55.4 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.14 -49.19 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -63.6 -50.24 70.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -50.59 -34.6 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.566 HD11 HG21 ' A' ' 76' ' ' ILE . 17.0 mt -64.18 -48.14 77.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.779 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -56.81 -28.73 61.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -55.4 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.614 ' HA ' HD12 ' A' ' 95' ' ' LEU . 1.6 t0 -60.22 -37.76 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.591 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -60.19 -37.21 79.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.998 HD23 ' HB3' ' A' ' 25' ' ' PRO . 14.3 mt -65.42 -12.98 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.5 -10.71 23.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 67.68 9.55 7.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.629 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 140.33 19.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.591 HG23 ' CB ' ' A' ' 93' ' ' ALA . 9.2 p -143.62 161.57 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.4 t -134.57 123.94 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -112.74 153.26 28.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -127.95 112.61 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.98 151.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.595 ' HB2' HD11 ' A' ' 71' ' ' LEU . 3.1 tt0 -114.18 144.17 43.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -175.71 159.44 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.05 145.42 47.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -127.56 137.91 52.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.624 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.4 tt0 -103.69 116.26 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.453 HG12 HD23 ' A' ' 101' ' ' LEU . 52.3 t -101.13 137.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.95 109.26 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HB2' HG12 ' A' ' 99' ' ' VAL . 43.7 mt -105.5 144.94 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.92 113.17 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.74 -177.99 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.33 166.57 22.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.553 0.796 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.852 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.05 -24.31 12.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.36 -47.34 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 t -76.6 -3.05 35.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.14 -116.92 4.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.486 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 20.3 m-85 -136.66 -87.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.63 64.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -161.82 132.47 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.3 137.88 47.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 70' ' ' VAL . 45.7 mt -99.63 151.72 20.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.654 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.7 tt0 -128.22 122.6 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.16 -150.73 5.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.38 162.56 6.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.4 -47.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -74.91 94.17 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -42.01 -57.62 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -63.54 82.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.564 ' C ' HG22 ' A' ' 82' ' ' THR . 1.2 mm-40 175.31 130.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.466 ' N ' HG22 ' A' ' 82' ' ' THR . 23.0 m -52.89 158.48 1.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.769 HD11 ' HA ' ' A' ' 83' ' ' MET . 80.3 mt -109.98 113.44 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 m -70.69 -25.61 63.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.65 163.52 50.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.04 140.9 25.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.99 139.04 23.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.443 1.759 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.818 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -90.0 163.72 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 52' ' ' ILE . 44.8 t -75.02 91.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -50.56 -61.08 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.9 t80 -145.38 169.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.826 HD11 HG11 ' A' ' 49' ' ' VAL . 94.7 mt -139.12 144.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -77.07 137.44 65.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.2 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 4.2 t0 76.73 12.22 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.64 178.02 2.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.93 -44.19 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -55.86 -37.05 68.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -78.81 -36.84 42.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -54.46 -38.72 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.66 -28.84 70.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.33 -52.36 3.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -44.49 -35.91 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.24 127.84 32.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 6.8 mt-30 -156.39 165.72 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.46 135.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.33 -31.76 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 48.9 m-20 -46.22 139.03 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.818 ' HG3' HD23 ' A' ' 48' ' ' LEU . 1.5 mpp_? -98.04 124.86 42.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 33' ' ' LEU . 24.3 t -94.95 111.12 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 104' ' ' GLU . 31.2 mt -78.88 -57.56 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 25.1 p -135.07 168.3 19.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.897 HG22 ' ND2' ' A' ' 74' ' ' ASN . 72.2 mt -139.8 113.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.897 ' ND2' HG22 ' A' ' 73' ' ' ILE . 1.5 m-80 75.91 2.82 3.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.4 -2.38 23.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 13.0 mm -101.16 128.95 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.7 131.0 40.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.407 HG21 HG12 ' A' ' 70' ' ' VAL . 38.7 p -70.18 -33.99 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.27 -15.33 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -106.83 38.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.51 -169.62 33.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.564 HG22 ' C ' ' A' ' 41' ' ' GLU . 23.5 p -108.13 152.08 25.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.769 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.92 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.509 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -47.08 -60.69 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -38.78 -48.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -56.05 -51.59 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -62.38 -46.24 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -58.32 -44.28 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.49 ' HB3' ' ND2' ' A' ' 74' ' ' ASN . 19.8 mt -53.73 -34.71 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.668 ' CD2' HG21 ' A' ' 99' ' ' VAL . 3.3 mt -72.14 -30.72 65.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -58.93 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.66 -46.87 86.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.57 -45.29 26.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.79 90.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.852 HD23 ' HB3' ' A' ' 25' ' ' PRO . 85.8 mt -62.5 -14.7 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.16 -7.84 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 66.29 12.35 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.643 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.23 143.65 22.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.668 HG21 ' CD2' ' A' ' 90' ' ' LEU . 7.8 p -145.18 148.57 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.624 HG13 ' HG3' ' A' ' 18' ' ' GLU . 78.5 t -119.62 124.49 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.784 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -118.43 137.28 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.5 113.38 21.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.61 150.64 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.804 ' HB2' HD11 ' A' ' 71' ' ' LEU . 8.4 tt0 -112.9 143.25 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.3 p90 179.59 168.23 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 16' ' ' THR . 6.6 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 15' ' ' GLU . 2.1 p -153.39 152.02 30.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -127.4 138.65 53.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.58 ' CG ' HG13 ' A' ' 100' ' ' VAL . 26.2 tt0 -94.46 117.95 30.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.543 HG13 ' SG ' ' A' ' 61' ' ' CYS . 98.8 t -102.79 120.84 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t -111.43 115.6 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -112.46 146.92 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.6 115.46 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.83 179.71 22.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.46 166.39 21.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.601 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.04 -22.86 14.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -90.94 -46.08 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.81 0.1 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.14 -118.92 4.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' HG11 ' A' ' 99' ' ' VAL . 10.7 m-85 -131.56 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.647 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.26 60.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.71 138.88 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -116.25 130.01 56.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 70' ' ' VAL . 48.1 mt -91.9 154.31 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 4.7 tt0 -127.97 113.71 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.73 -145.78 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.44 159.19 5.4 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.2 -47.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -76.46 129.13 36.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.56 -36.4 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -77.7 -167.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.88 115.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 m -54.63 159.88 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 83' ' ' MET . 83.0 mt -98.84 115.29 28.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -26.62 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.37 163.24 52.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.0 139.22 24.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.03 140.78 25.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.873 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -92.36 162.32 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 52' ' ' ILE . 41.1 t -71.92 91.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -54.14 -52.72 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.3 t80 -153.35 167.56 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 28.4 mt -137.0 143.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.4 mt-10 -76.72 142.76 70.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.2 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t0 64.58 12.7 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.67 178.22 2.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.01 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.456 1.766 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.11 -26.24 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.31 -43.3 13.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -52.01 -29.97 23.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.543 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -63.51 -29.17 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.51 -60.16 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -41.24 -42.13 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.29 144.88 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.7 161.02 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.6 t -53.88 136.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.49 -32.72 6.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.56 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.873 ' HG3' HD23 ' A' ' 48' ' ' LEU . 4.4 mpp_? -128.99 130.92 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 33' ' ' LEU . 45.1 t -100.3 107.38 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' HG3' ' A' ' 104' ' ' GLU . 24.7 mt -76.67 -58.88 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 6.4 p -139.84 157.75 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.853 HG23 HD23 ' A' ' 101' ' ' LEU . 52.5 mt -127.75 117.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.2 12.22 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 -3.32 42.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 72' ' ' SER . 16.9 mm -95.05 126.98 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.88 127.35 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.428 HG21 HG12 ' A' ' 70' ' ' VAL . 27.8 p -67.39 -24.2 65.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.15 -11.98 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -104.8 37.92 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.07 169.84 41.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.5 p -87.42 169.11 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.354 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.609 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.0 tpt -46.3 -46.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -56.02 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.0 -49.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.48 -59.19 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -54.25 -42.39 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -63.62 -42.56 98.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.66 -34.2 73.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 31' ' ' LEU . 4.6 mt -73.39 -25.55 60.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -70.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -44.31 -41.54 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -56.41 -47.53 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.8 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.0 mt -62.98 -13.82 39.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -97.05 -8.16 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 66.18 10.36 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.41 141.64 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.516 HG11 ' CE2' ' A' ' 29' ' ' PHE . 10.6 p -144.99 163.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.58 HG13 ' CG ' ' A' ' 18' ' ' GLU . 57.5 t -140.14 131.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.853 HD23 HG23 ' A' ' 73' ' ' ILE . 2.1 mt -126.95 151.59 48.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.34 113.4 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.69 149.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.646 ' HG3' HD11 ' A' ' 71' ' ' LEU . 3.1 tt0 -111.09 142.74 42.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -174.69 172.93 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -144.15 141.47 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 t -124.96 131.7 53.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.617 ' HG3' HG13 ' A' ' 100' ' ' VAL . 24.7 tt0 -103.37 114.96 29.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.2 136.4 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.18 104.99 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 58' ' ' ALA . 14.2 mt -98.89 150.37 21.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -131.91 148.48 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.96 -175.29 45.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.59 166.7 14.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.846 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -74.96 -16.64 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -101.19 -47.75 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -26.35 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.27 -118.85 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -140.46 -89.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.756 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.62 65.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -160.78 131.0 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -111.78 133.67 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.638 HD21 HG21 ' A' ' 70' ' ' VAL . 40.6 mt -93.19 163.47 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.4 tt0 -140.5 111.12 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.87 -160.2 8.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.83 167.72 33.66 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 38' ' ' PHE . 46.8 mm -72.15 -93.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.467 ' N ' HG22 ' A' ' 37' ' ' ILE . 43.9 m-85 -44.05 112.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -64.67 -59.69 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 3.9 p -51.73 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 42' ' ' THR . 1.1 pt-20 163.24 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.72 ' CA ' HG22 ' A' ' 82' ' ' THR . 2.4 m 86.47 139.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 79' ' ' GLU . 44.8 mt -79.83 126.09 30.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -22.3 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.75 164.38 44.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.02 135.15 18.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.99 157.77 42.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.885 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -105.77 171.53 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.724 HG11 HD11 ' A' ' 52' ' ' ILE . 17.9 t -81.38 88.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.51 -60.26 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.1 t80 -143.9 170.84 15.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.724 HD11 HG11 ' A' ' 49' ' ' VAL . 48.0 mt -143.31 145.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.9 OUTLIER -77.89 138.4 61.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.13 11.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.88 7.27 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -74.92 178.32 1.83 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -75.04 -41.54 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -62.07 -26.75 68.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -87.14 -34.29 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -61.4 -34.66 75.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.12 -28.56 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.59 -53.75 2.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.5 mt -39.21 -53.93 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 29.4 mt -61.5 153.52 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -179.24 163.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.58 121.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 115.37 -28.56 7.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 1.3 m-20 -47.93 173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.981 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.4 mpp_? -127.78 154.37 45.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.638 HG21 HD21 ' A' ' 33' ' ' LEU . 93.7 t -125.56 106.74 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 104' ' ' GLU . 29.1 mt -75.32 -58.99 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 p -138.31 165.72 26.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.844 HG22 ' OD1' ' A' ' 74' ' ' ASN . 32.9 mt -134.2 119.63 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.844 ' OD1' HG22 ' A' ' 73' ' ' ILE . 11.1 m120 66.17 11.33 7.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.15 12.55 31.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 3.5 mm -115.33 119.57 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 80' ' ' ASP . . . -67.79 123.75 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -62.43 -26.03 68.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.7 mp0 -74.93 -32.35 61.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -69.08 -22.08 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.51 -176.27 14.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.72 HG22 ' CA ' ' A' ' 42' ' ' THR . 13.3 p -99.04 177.37 5.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.56 -41.77 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -44.86 91.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.05 -60.32 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -51.02 -48.39 61.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.18 -45.95 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.63 -40.22 71.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 99' ' ' VAL . 1.5 mt -63.37 -41.18 98.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 95' ' ' LEU . 20.8 t0 -49.59 -46.55 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.553 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -49.24 -50.53 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.72 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.846 HD23 ' HB3' ' A' ' 25' ' ' PRO . 30.5 mt -62.17 -14.87 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -97.76 -5.39 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 65.91 10.75 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' CD ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.33 159.1 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.558 HG21 HD23 ' A' ' 90' ' ' LEU . 9.9 p -159.86 159.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.617 HG13 ' HG3' ' A' ' 18' ' ' GLU . 53.3 t -129.91 129.38 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.781 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.77 137.7 53.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -117.85 111.03 18.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.8 t -101.78 155.78 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.638 ' HB2' HD11 ' A' ' 71' ' ' LEU . 22.3 tt0 -119.52 138.37 53.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -176.52 159.85 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.4 p -147.96 136.34 21.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 t -111.4 133.97 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.715 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.1 tt0 -105.58 130.41 53.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.595 HG11 ' SG ' ' A' ' 61' ' ' CYS . 75.3 t -126.6 131.91 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.03 97.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 1.3 mp -85.6 148.9 25.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.13 107.87 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.9 -178.33 15.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -95.23 166.74 14.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.735 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.01 -44.44 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.33 -49.13 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -31.76 64.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 24' ' ' ASP . . . 74.97 -122.33 6.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.443 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 41.3 m-85 -130.69 -88.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.771 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 145.61 58.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD21 HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -149.2 145.01 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -124.12 129.21 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.619 HD11 HD11 ' A' ' 73' ' ' ILE . 26.5 mt -90.99 155.57 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -132.57 115.13 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.76 -141.41 3.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.33 167.18 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 mp -79.28 -49.45 19.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.78 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -77.1 165.18 24.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.11 -49.31 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 p -74.22 78.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.607 ' C ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -175.48 128.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.446 ' N ' HG22 ' A' ' 82' ' ' THR . 3.2 m -58.69 159.19 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.553 HD11 ' HA ' ' A' ' 83' ' ' MET . 94.4 mt -106.56 120.07 40.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -23.88 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.17 163.32 52.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.99 21.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.11 31.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.841 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -96.37 166.18 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.419 HG21 ' CD2' ' A' ' 64' ' ' LEU . 51.6 t -75.6 94.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.63 -55.69 26.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.7 t80 -148.87 171.04 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.602 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 9.8 mt -141.57 139.28 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -75.37 143.11 75.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.3 Cg_endo -75.03 141.35 26.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.09 15.45 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.53 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.56 179.76 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.53 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -52.1 -25.45 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 tp10 -91.99 -46.23 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -51.11 -29.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.595 ' SG ' HG11 ' A' ' 19' ' ' VAL . 4.3 t -63.0 -28.12 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 68.57 -58.98 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -51.54 -33.67 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.447 HD23 HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -83.57 131.28 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -161.11 159.73 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.62 130.71 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.26 -35.91 4.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.56 144.9 5.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.841 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -96.67 148.27 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 73' ' ' ILE . 30.9 t -121.25 98.45 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 104' ' ' GLU . 67.0 mt -67.08 -61.25 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.4 p -129.71 168.06 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.619 HD11 HD11 ' A' ' 33' ' ' LEU . 97.9 mt -137.64 112.31 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.419 ' OD1' ' HB2' ' A' ' 93' ' ' ALA . 0.1 OUTLIER 76.85 2.07 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 2.15 24.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.06 123.18 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.42 140.56 58.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -83.55 -33.79 25.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.41 -11.97 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -108.39 32.84 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -162.85 -169.27 26.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.607 HG22 ' C ' ' A' ' 41' ' ' GLU . 16.6 p -108.38 164.17 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.553 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.3 tpt -46.69 -63.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.9 -56.28 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.47 -45.04 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -60.15 -54.01 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -59.75 -39.64 85.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.16 -44.1 80.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.71 -38.23 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.618 HD11 HD21 ' A' ' 31' ' ' LEU . 6.8 mt -66.99 -33.96 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.7 OUTLIER -61.24 -68.9 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.441 ' HA ' HD12 ' A' ' 95' ' ' LEU . 16.9 t0 -43.48 -40.07 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -59.71 -47.14 86.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -57.02 -43.64 82.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 25' ' ' PRO . 19.0 mt -63.08 -15.79 57.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.62 -8.31 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 63.95 19.0 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.67 150.48 28.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.532 HG21 HD23 ' A' ' 90' ' ' LEU . 8.6 p -161.75 146.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.715 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.5 t -116.0 123.94 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.777 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.38 129.81 55.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.14 110.8 18.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -96.79 155.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.581 ' HB2' HD11 ' A' ' 71' ' ' LEU . 19.8 tt0 -114.13 140.17 48.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.1 p90 179.84 176.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 16' ' ' THR . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 15' ' ' GLU . 3.6 p -154.66 140.84 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -126.34 137.53 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 100' ' ' VAL . 30.7 tt0 -96.16 118.65 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG11 HD12 ' A' ' 64' ' ' LEU . 58.8 t -110.79 117.98 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 100' ' ' VAL . 77.8 t -103.64 104.43 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 47.8 mt -97.69 142.17 29.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.05 114.28 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.88 176.39 23.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.2 m-20 -82.14 161.37 60.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.936 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -74.93 -19.31 18.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.97 -51.49 7.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -17.29 47.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 75.51 -121.59 6.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 27.3 m-85 -130.81 4.82 4.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 56.29 57.03 21.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -148.49 151.07 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -131.62 129.17 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 71.6 mt -95.63 157.22 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 tt0 -133.92 113.82 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.01 -156.99 7.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.88 163.87 0.65 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.23 -48.87 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -71.88 95.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.34 -38.58 28.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.1 p -84.07 75.36 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.686 ' C ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -178.27 128.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.622 ' N ' HG22 ' A' ' 82' ' ' THR . 16.7 m -44.78 159.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.735 HD11 ' HA ' ' A' ' 83' ' ' MET . 34.7 mt -108.77 115.7 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -76.5 -23.99 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.62 162.83 55.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -74.98 140.44 25.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.04 140.94 25.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.535 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 1.4 mt -96.7 170.73 8.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 HD11 ' A' ' 52' ' ' ILE . 42.3 t -82.67 93.64 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.4 t -52.85 -54.35 35.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.8 t80 -151.76 170.67 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.689 HD11 HG11 ' A' ' 49' ' ' VAL . 97.5 mt -139.58 140.88 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.0 mt-10 -77.16 138.86 64.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 131.62 14.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 2.1 t70 72.07 9.08 6.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.47 179.19 1.98 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.99 -43.95 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -61.0 -23.85 65.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -90.45 -35.5 15.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.428 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -54.19 -32.5 55.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -64.05 -28.3 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.86 -58.59 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.723 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -47.33 -29.84 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.468 HD12 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -82.63 128.98 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.09 152.99 31.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 49' ' ' VAL . 18.3 t -45.15 135.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.444 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 112.04 -40.35 2.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 3.3 m-20 -40.8 139.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.38 129.5 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 54.8 t -97.25 114.74 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.655 HD11 ' HG3' ' A' ' 104' ' ' GLU . 17.3 mt -82.46 -56.62 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 p -137.82 171.38 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.774 HG21 ' CD2' ' A' ' 90' ' ' LEU . 90.6 mt -134.07 113.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 68.78 10.06 7.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.17 2.61 33.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 4.4 mm -100.26 128.1 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 125.49 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -73.19 -19.84 61.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.88 -18.04 54.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -99.38 25.0 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' THR . . . -158.18 -168.43 20.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.686 HG22 ' C ' ' A' ' 41' ' ' GLU . 17.4 p -105.92 159.62 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.735 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -44.5 -59.99 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -57.79 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.55 -55.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.88 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.07 -48.37 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -52.27 -35.47 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.32 -47.33 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.774 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -57.65 -33.81 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -67.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -52.85 -29.8 30.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.67 61.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.92 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.936 HD23 ' HB3' ' A' ' 25' ' ' PRO . 29.2 mt -66.57 -13.41 61.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.78 -19.93 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 79.43 12.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -152.66 141.73 21.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.58 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 9.3 p -153.18 137.71 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 20' ' ' VAL . 39.5 t -109.92 142.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 100' ' ' VAL . 2.6 mt -136.41 151.75 49.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.48 111.28 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.4 t -93.12 158.94 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.655 ' HG3' HD11 ' A' ' 71' ' ' LEU . 2.4 tt0 -123.34 135.33 54.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -174.75 -178.17 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.0 OUTLIER -147.16 138.86 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.651 HG21 HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -125.01 135.23 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.655 ' HG3' HG13 ' A' ' 100' ' ' VAL . 18.7 tt0 -105.16 119.65 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.06 140.56 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -120.79 101.44 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' A' ' 58' ' ' ALA . 54.1 mt -93.05 144.48 25.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -129.08 112.84 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.19 15.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.57 163.14 21.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.756 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -14.78 21.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.46 -50.12 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.68 6.16 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 44.53 -125.69 6.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 30.6 m-85 -126.19 -86.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.732 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 148.3 69.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -164.57 141.28 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.75 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -117.96 131.4 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 73' ' ' ILE . 24.2 mt -93.94 153.67 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 3.9 tt0 -139.35 111.91 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' CA ' ' SD ' ' A' ' 83' ' ' MET . . . -156.68 139.53 6.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.71 -160.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.485 ' CG1' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -125.06 -77.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' N ' ' CG1' ' A' ' 37' ' ' ILE . 84.5 m-85 -51.6 127.63 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.15 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 -168.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 mt-10 77.72 -145.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -145.58 155.86 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 83' ' ' MET . 37.0 mt -94.0 114.17 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -82.34 -24.5 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.67 163.88 48.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.08 138.5 22.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.4 Cg_endo -75.0 138.52 23.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.514 HD21 ' CD ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -87.06 165.24 15.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.683 HG11 HD11 ' A' ' 52' ' ' ILE . 28.1 t -77.29 86.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 t -45.41 -62.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 10.2 t80 -138.89 170.46 15.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.683 HD11 HG11 ' A' ' 49' ' ' VAL . 7.2 mt -140.73 143.93 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.8 mt-10 -77.6 144.11 68.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.3 Cg_endo -75.01 132.62 15.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 63.16 13.73 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -75.47 175.55 4.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -40.53 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.42 -30.03 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.7 tp10 -88.89 -40.47 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -50.19 -41.09 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 24.9 m -63.54 -29.67 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 108.369 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 78.85 -47.33 3.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.651 HD12 HG21 ' A' ' 17' ' ' THR . 1.4 mm? -37.9 -58.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 20.8 mt -62.24 154.08 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 2.5 mt-30 -178.3 162.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.4 t -63.45 125.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 18.83 24.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 65' ' ' GLN . 4.5 m-20 -107.66 120.06 41.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.514 ' CD ' HD21 ' A' ' 48' ' ' LEU . 1.7 mtt180 -76.15 141.93 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 33' ' ' LEU . 28.2 t -109.17 99.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.477 HD11 ' CG ' ' A' ' 104' ' ' GLU . 55.5 mt -57.61 -61.61 2.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 p -134.08 166.69 22.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.496 HD11 HD11 ' A' ' 33' ' ' LEU . 73.0 mt -135.91 112.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.418 ' OD1' ' HB2' ' A' ' 93' ' ' ALA . 0.1 OUTLIER 76.64 1.83 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.2 -0.06 23.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 mm -104.26 127.03 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.6 128.01 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.9 p -68.18 -23.3 64.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 61.0 mt-10 -71.1 -14.69 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -108.38 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.76 -159.59 21.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 41' ' ' GLU . 1.4 p -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.702 ' HA ' HD11 ' A' ' 43' ' ' LEU . 9.5 tpt -64.38 -44.56 90.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -53.36 55.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -51.31 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.54 -44.33 56.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -69.92 -39.31 76.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -64.9 -40.5 95.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.0 mt -56.45 -35.42 67.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.834 HD23 HG21 ' A' ' 99' ' ' VAL . 3.8 mt -69.92 -33.79 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -61.7 -67.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -44.88 -42.14 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HB2' ' OD1' ' A' ' 74' ' ' ASN . . . -57.91 -41.81 83.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -58.37 -35.54 72.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.756 HD23 ' HB3' ' A' ' 25' ' ' PRO . 27.7 mt -70.31 -14.09 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.69 -20.15 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 79.4 6.01 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.429 ' HE2' HG23 ' A' ' 100' ' ' VAL . 4.7 tttt -153.13 137.99 17.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.834 HG21 HD23 ' A' ' 90' ' ' LEU . 10.9 p -141.1 143.27 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 18' ' ' GLU . 40.9 t -111.92 127.88 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.797 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.74 145.82 46.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -125.03 115.68 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 16' ' ' THR . 2.6 t -103.35 157.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.477 ' CG ' HD11 ' A' ' 71' ' ' LEU . 7.4 tt0 -122.83 118.11 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 5.8 p90 -159.08 167.51 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -132.98 136.8 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 t -115.42 141.18 48.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.638 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.3 tt0 -104.66 120.41 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.466 HG13 ' SG ' ' A' ' 61' ' ' CYS . 78.9 t -106.83 156.74 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.64 97.41 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -85.58 135.32 33.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -120.18 144.18 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.92 45.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 167.24 10.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.771 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.99 -13.38 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -104.97 -45.07 4.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -80.47 -8.17 59.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.4 -148.59 6.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 10.9 m-85 -108.34 -90.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.791 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 144.26 76.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD21 HD11 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -166.68 137.83 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -114.41 137.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 46.5 mt -107.44 150.67 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -127.51 113.88 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.241 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.89 -155.62 6.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.7 -178.17 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' PHE . 17.8 mm -94.53 -81.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' ILE . 93.9 m-85 -37.36 98.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.31 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.2 p -87.21 85.14 7.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.727 ' C ' HG22 ' A' ' 82' ' ' THR . 1.3 mm-40 -175.79 129.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 82' ' ' THR . 97.4 m -51.3 155.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 83' ' ' MET . 70.6 mt -104.2 110.96 23.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.7 p -73.22 -23.53 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.4 163.57 50.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.96 139.8 24.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.01 144.49 30.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.66 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -96.63 162.63 13.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 52' ' ' ILE . 10.1 t -79.05 82.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' VAL . 3.9 t -41.57 -61.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 3.8 t80 -146.7 167.14 24.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.643 HD11 HG11 ' A' ' 49' ' ' VAL . 77.2 mt -133.9 142.66 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.48 138.58 63.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.85 20.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.1 7.4 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.502 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -81.92 178.82 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -44.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -57.97 -28.36 64.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.21 -40.91 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -25.03 61.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.466 ' SG ' HG13 ' A' ' 19' ' ' VAL . 5.2 t -63.37 -27.07 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.38 -57.84 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -39.54 71.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 133.85 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -159.59 176.36 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.9 t -69.0 136.92 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 72.65 42.42 47.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.507 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -94.78 -12.69 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HA ' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.55 113.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.7 t -97.03 116.46 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.802 HD11 ' HG3' ' A' ' 104' ' ' GLU . 15.6 mt -81.17 -56.16 4.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -146.27 167.02 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.517 HG22 ' OD1' ' A' ' 74' ' ' ASN . 60.4 mt -135.9 112.99 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.676 HD21 ' HB2' ' A' ' 93' ' ' ALA . 0.9 OUTLIER 69.43 15.53 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.98 5.34 53.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.6 HG21 HD11 ' A' ' 89' ' ' LEU . 3.2 mm -101.1 113.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.8 113.55 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 p -59.16 -29.33 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.46 -12.41 61.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -110.7 27.93 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.17 -171.96 21.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.727 HG22 ' C ' ' A' ' 41' ' ' GLU . 9.2 p -107.32 155.36 20.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.541 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.4 tpt -40.38 -57.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -58.29 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.99 -47.11 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -55.81 -50.99 69.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.28 -46.16 84.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -59.48 -36.63 76.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.6 HD11 HG21 ' A' ' 76' ' ' ILE . 30.2 mt -61.2 -38.5 86.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.786 HD11 HD21 ' A' ' 31' ' ' LEU . 4.1 mt -68.58 -37.46 79.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 3.2 mtt180 -59.55 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 95' ' ' LEU . 7.7 t0 -45.16 -52.66 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.676 ' HB2' HD21 ' A' ' 74' ' ' ASN . . . -47.39 -45.4 25.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -54.49 -41.43 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.771 HD23 ' HB3' ' A' ' 25' ' ' PRO . 23.5 mt -62.92 -15.71 56.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.86 -6.67 38.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 67.54 9.33 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.548 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.56 152.41 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.71 HG21 HD23 ' A' ' 90' ' ' LEU . 7.0 p -157.1 143.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.815 ' C ' HD13 ' A' ' 101' ' ' LEU . 22.9 t -112.52 131.42 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.815 HD13 ' C ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -117.22 162.21 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -137.62 111.61 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -102.99 156.82 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.802 ' HG3' HD11 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -119.98 143.46 48.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -178.54 166.54 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -131.79 134.96 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -125.16 144.37 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.766 ' HG3' HG13 ' A' ' 100' ' ' VAL . 25.9 tt0 -99.07 116.81 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.817 HG13 ' SG ' ' A' ' 61' ' ' CYS . 20.2 t -107.39 108.43 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -91.97 103.04 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HG ' HG12 ' A' ' 19' ' ' VAL . 55.2 mt -94.66 148.58 22.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.04 110.9 10.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.61 -179.71 16.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.19 166.51 17.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.545 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.5 Cg_endo -75.0 -19.91 17.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.18 -54.43 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -69.49 -11.75 61.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.91 -144.56 41.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.473 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 37.2 m-85 -102.41 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.649 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 144.36 69.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -167.13 138.29 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.1 mm-40 -105.03 157.59 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -121.8 142.36 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -119.72 119.33 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.52 -150.83 5.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.84 165.88 0.44 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -80.76 -49.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.06 153.32 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.02 14.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.5 p -98.3 66.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.25 127.46 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 43' ' ' LEU . 16.8 m -48.8 165.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 83' ' ' MET . 23.2 mt -114.65 108.45 16.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.57 -23.21 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 163.39 51.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.06 140.93 25.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 143.36 28.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.656 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -95.49 164.11 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 52' ' ' ILE . 18.1 t -79.75 78.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' VAL . 1.7 t -40.83 -60.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 19.0 t80 -141.23 165.93 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.725 HD11 HG11 ' A' ' 49' ' ' VAL . 50.6 mt -133.57 139.31 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 3.1 mt-10 -76.77 136.89 66.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.54 23.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 65.89 11.52 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -84.48 178.82 2.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.97 -45.19 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -55.76 -34.46 65.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -76.76 -43.57 36.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -50.87 -27.19 6.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.817 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -63.25 -29.31 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.266 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.34 -60.81 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.94 -20.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.91 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -85.04 141.59 30.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -164.3 178.57 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.3 t -66.32 133.71 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 78.24 44.91 10.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.611 ' O ' HG12 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -96.89 -13.09 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.62 112.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 53.1 t -95.91 117.02 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.751 HD11 ' CG ' ' A' ' 104' ' ' GLU . 19.1 mt -82.85 -56.45 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 p -141.38 155.89 45.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.044 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 72.4 mt -125.18 111.13 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER 75.6 5.28 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 -5.78 26.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 mm -94.83 121.72 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.84 123.82 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.0 p -67.24 -35.68 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.64 -20.17 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.37 47.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.19 172.67 43.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' GLU . 62.9 p -94.91 155.18 16.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 0.742 . . . . 0.0 110.358 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.465 ' HA ' HD11 ' A' ' 43' ' ' LEU . 8.2 tpt -41.44 -34.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -44.84 62.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' THR . 28.5 mt-10 -46.85 -46.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -56.03 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -55.95 -44.78 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -59.98 -51.79 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -48.65 -49.28 38.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 90' ' ' LEU . 6.9 mt -58.22 -38.94 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -66.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.81 -40.1 83.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.443 ' HB1' ' CG2' ' A' ' 99' ' ' VAL . . . -52.59 -41.14 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.545 HD23 ' CB ' ' A' ' 25' ' ' PRO . 42.0 mt -58.71 -16.88 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.15 -15.89 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.6 m170 69.04 7.86 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.61 140.38 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.534 HG13 ' CD2' ' A' ' 101' ' ' LEU . 9.8 p -153.23 146.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.766 HG13 ' HG3' ' A' ' 18' ' ' GLU . 5.8 t -106.61 116.21 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.534 ' CD2' HG13 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -103.78 131.44 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -111.11 111.16 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -96.86 160.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.751 ' CG ' HD11 ' A' ' 71' ' ' LEU . 3.4 tt0 -133.41 115.07 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -155.8 175.16 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 2.5 p -148.74 142.94 26.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -133.7 129.93 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.561 ' CG ' HG13 ' A' ' 100' ' ' VAL . 37.8 tt0 -95.06 115.51 27.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.676 ' CG1' HD13 ' A' ' 21' ' ' LEU . 18.5 t -106.68 133.6 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -112.64 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.676 HD13 ' CG1' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -86.22 140.48 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.24 125.14 36.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.62 167.64 39.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.98 161.69 67.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.938 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.02 -16.67 20.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -55.8 5.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -78.65 -30.39 46.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 -120.32 6.33 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -138.84 14.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.722 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 47.01 57.12 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -149.19 145.35 27.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -125.59 125.91 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 70' ' ' VAL . 30.5 mt -91.27 155.69 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 2.3 tt0 -142.66 111.78 6.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.27 -152.75 7.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.55 -171.68 0.1 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt -93.19 -32.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.2 127.18 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . . . -85.47 -55.36 4.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -37.98 -31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' ALA . 2.0 mm-40 -88.2 141.56 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 43' ' ' LEU . 28.0 m -49.04 170.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 83' ' ' MET . 15.0 mt -108.56 110.0 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -24.61 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.1 p -134.53 158.31 75.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.59 29.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.02 140.6 25.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -96.15 166.84 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.498 HG11 ' CD1' ' A' ' 52' ' ' ILE . 24.6 t -76.75 87.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -48.28 -54.42 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.337 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.3 t80 -152.69 169.76 21.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.567 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.2 mt -139.4 140.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 2.3 mt-10 -78.76 142.72 61.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 138.41 22.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.21 9.93 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.524 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -86.91 179.58 1.73 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.31 -24.38 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.87 -40.67 11.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.01 -26.06 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.544 ' SG ' HG13 ' A' ' 19' ' ' VAL . 3.7 m -62.91 -27.46 69.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.18 -60.68 0.4 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.029 HD13 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.71 -29.17 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.029 ' N ' HD13 ' A' ' 63' ' ' LEU . 8.8 tp -71.2 130.49 41.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -154.5 164.93 37.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 49' ' ' VAL . 53.8 t -57.59 134.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.56 -24.9 14.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.616 ' OD2' HD12 ' A' ' 64' ' ' LEU . 16.8 m-20 -55.74 123.48 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.827 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -80.58 140.72 35.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 24.8 t -106.69 102.06 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 104' ' ' GLU . 13.1 mt -69.41 -60.5 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' HG23 ' A' ' 78' ' ' THR . 9.5 p -134.78 171.74 13.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.729 HG21 ' CD2' ' A' ' 90' ' ' LEU . 96.3 mt -134.29 111.63 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.11 6.87 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.42 -0.75 26.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 73' ' ' ILE . 5.6 mm -98.97 126.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.24 132.89 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.633 HG21 HG12 ' A' ' 70' ' ' VAL . 73.8 p -81.07 -30.83 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.365 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.59 -14.79 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.09 39.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.88 -165.44 31.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 39' ' ' ALA . 2.3 p -100.83 168.73 9.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 110.36 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.751 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.81 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -42.47 33.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -45.35 28.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.6 92.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -63.69 -54.09 41.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -47.4 -35.52 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.51 -51.81 63.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.729 ' CD2' HG21 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -53.4 -36.26 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.69 -71.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -46.29 -39.45 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.466 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -61.68 -42.42 98.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 25' ' ' PRO . . . -58.75 -34.67 71.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 25' ' ' PRO . 25.3 mt -73.76 -5.94 43.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.75 -14.67 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 71.72 11.84 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.569 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.41 150.29 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.466 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 11.0 p -160.35 145.78 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.693 ' C ' HD13 ' A' ' 101' ' ' LEU . 97.5 t -114.08 130.85 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.743 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -124.19 145.73 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.51 115.22 24.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 68' ' ' ASP . 1.5 t -106.56 141.89 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.757 ' HB2' HD11 ' A' ' 71' ' ' LEU . 2.3 tt0 -110.58 122.17 47.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 5.3 p90 -160.56 159.79 31.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -131.31 141.52 49.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -125.95 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.609 ' HG3' HG13 ' A' ' 100' ' ' VAL . 11.9 tt0 -100.84 121.0 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.606 HG11 HD12 ' A' ' 64' ' ' LEU . 66.4 t -112.43 124.09 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 100' ' ' VAL . 97.6 t -108.92 124.03 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 21.6 mt -114.93 155.77 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.0 t -135.54 151.58 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.98 -179.65 45.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 166.31 17.02 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.66 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.0 Cg_endo -75.01 -14.52 21.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -95.56 -55.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 m -72.89 -19.41 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.3 -116.13 7.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 14.5 m-85 -135.11 -88.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.574 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 146.45 66.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.864 HD21 HD11 ' A' ' 90' ' ' LEU . 1.3 pp -151.69 146.95 26.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 2.3 mm-40 -123.48 120.86 34.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.67 169.64 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.695 ' OE1' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -145.94 120.92 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.82 -158.32 9.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -37.47 151.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.76 -58.16 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -70.2 152.46 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.98 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -75.89 90.54 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.485 ' C ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER 179.69 116.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.742 ' N ' HG22 ' A' ' 82' ' ' THR . 40.6 m -47.71 149.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.71 HD11 ' HA ' ' A' ' 83' ' ' MET . 99.8 mt -102.06 115.55 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -19.66 53.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.55 164.2 45.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.1 Cg_endo -75.02 134.83 18.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.96 159.13 41.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.695 HD12 ' OE1' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -119.43 172.2 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 66' ' ' VAL . 41.1 t -86.1 136.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.416 ' C ' ' HB ' ' A' ' 66' ' ' VAL . 14.2 t -101.26 -32.54 10.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 108.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -162.46 159.06 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.0 mt -132.31 122.66 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.72 140.97 85.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.86 27.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.43 13.54 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -86.8 179.1 1.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.97 -39.22 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -65.43 -29.45 70.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.12 -41.62 25.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -51.64 -27.51 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.9 m -63.58 -28.33 69.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.69 -56.03 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -62.9 -34.05 76.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.624 HD22 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -67.39 135.2 52.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 52' ' ' ILE . 3.0 pt20 -178.29 146.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.556 ' HA ' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -36.22 147.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.2 13.73 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 37.8 m-20 -112.93 121.41 44.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.78 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.8 mtp180 -67.78 164.6 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 70' ' ' VAL . 10.8 t -139.31 78.79 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 104' ' ' GLU . 22.1 mt -39.11 -67.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -128.17 169.55 14.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.492 HD11 HG11 ' A' ' 70' ' ' VAL . 94.5 mt -135.77 110.64 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER 75.64 4.22 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 -1.75 24.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -99.51 128.96 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.13 124.82 27.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 p -74.52 -19.56 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.92 -16.16 59.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -107.33 30.83 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.56 -175.49 27.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.742 HG22 ' N ' ' A' ' 42' ' ' THR . 12.2 p -100.77 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 0.807 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.71 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -46.1 -59.79 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.25 -55.81 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.63 -55.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.98 -49.02 42.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -63.92 -39.75 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.5 -44.51 90.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.4 mt -52.73 -39.62 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.864 HD11 HD21 ' A' ' 31' ' ' LEU . 4.7 mt -65.95 -28.45 68.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -60.37 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -53.62 -31.67 48.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.521 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -66.8 -42.46 85.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.83 78.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 25' ' ' PRO . 33.2 mt -59.82 -16.06 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.48 -6.91 39.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 17.3 m-70 67.8 7.68 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -154.37 162.17 41.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 90' ' ' LEU . 9.0 p -160.66 167.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 20' ' ' VAL . 79.9 t -138.26 141.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -130.51 149.48 52.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -125.76 114.56 18.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 69' ' ' ARG . 2.3 t -103.73 148.38 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.812 ' HB2' HD11 ' A' ' 71' ' ' LEU . 11.7 tt0 -119.54 124.67 46.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 2.3 p90 -154.08 -176.71 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -136.59 141.32 43.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 105' ' ' PHE . 1.2 t -122.17 127.22 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.714 ' HG3' HG13 ' A' ' 100' ' ' VAL . 26.3 tt0 -103.55 122.73 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.597 HG11 ' SG ' ' A' ' 61' ' ' CYS . 81.5 t -122.55 133.62 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -100.94 97.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.42 148.53 23.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.52 108.39 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.243 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.35 -179.68 16.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -94.63 158.5 35.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.919 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.0 -14.73 21.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -53.01 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.61 -122.59 6.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 90' ' ' LEU . 28.8 m-85 -130.55 11.4 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 46.54 59.53 5.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -158.05 140.54 14.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.404 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -113.53 128.1 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 76.5 mt -101.88 131.2 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -105.35 123.37 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.21 -169.32 12.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -39.09 147.76 0.13 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.94 -45.73 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.05 111.28 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.24 -40.97 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.0 p -69.91 -166.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' C ' HG22 ' A' ' 82' ' ' THR . 1.8 mm-40 64.37 127.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -51.39 155.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' A' ' 83' ' ' MET . 12.9 mt -91.54 107.12 18.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -25.35 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 163.66 49.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.76 30.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 142.93 28.46 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -106.43 159.44 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 64' ' ' LEU . 31.2 t -71.66 138.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.61 -47.89 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -145.03 157.22 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' A' ' 64' ' ' LEU . 11.2 mt -134.64 126.57 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.52 146.01 99.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.24 21.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.95 12.4 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.67 -179.89 1.67 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -56.13 -23.27 33.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 9.9 tp10 -91.96 -43.51 9.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.37 -35.29 37.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' HG11 ' A' ' 19' ' ' VAL . 1.3 t -63.6 -28.57 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.11 -59.71 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.26 -41.95 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 49' ' ' VAL . 1.7 tt -68.99 131.38 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.91 168.94 25.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 49' ' ' VAL . 72.3 t -61.99 131.29 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.73 -29.14 9.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.26 174.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.971 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.5 mpp_? -123.32 160.78 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.686 HG11 HD11 ' A' ' 73' ' ' ILE . 54.0 t -135.43 95.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 104' ' ' GLU . 25.2 mt -67.28 -60.15 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 p -130.82 161.42 31.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.026 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.686 HD11 HG11 ' A' ' 70' ' ' VAL . 93.3 mt -133.58 113.62 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.757 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.3 t-20 71.79 8.28 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.27 5.64 34.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.1 mm -107.6 120.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.15 125.29 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.504 HG21 HG12 ' A' ' 70' ' ' VAL . 23.0 p -65.65 -28.33 69.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.33 -12.48 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -105.53 36.79 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.67 165.69 37.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 41' ' ' GLU . 67.9 p -87.4 159.98 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.599 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.12 -59.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -48.13 -52.74 19.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.32 -40.11 11.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -64.18 -50.0 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -61.9 -35.44 78.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -71.22 -45.17 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.83 -27.99 46.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 29' ' ' PHE . 6.3 mt -78.18 -33.78 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.438 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -59.94 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.46 ' HA ' HD12 ' A' ' 95' ' ' LEU . 11.2 t70 -51.31 -41.8 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.757 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -64.82 -29.14 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -73.64 -30.14 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.919 HD23 ' HB3' ' A' ' 25' ' ' PRO . 20.5 mt -75.86 -6.8 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.23 -17.54 16.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 74.28 8.3 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -153.35 137.89 16.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.653 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 12.8 p -149.77 156.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.714 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.0 t -112.96 127.88 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.738 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.5 OUTLIER -115.01 134.75 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.07 110.94 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.971 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.1 t -105.87 146.29 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.669 ' HB2' HD11 ' A' ' 71' ' ' LEU . 2.0 tt0 -114.62 129.28 56.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.489 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 1.8 p90 -155.13 172.12 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -109.07 83.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.5 128.07 34.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.78 149.17 47.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.01 156.69 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -176.62 162.56 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.61 -73.43 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.83 -144.13 3.9 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.99 -141.43 17.03 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -156.48 161.26 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.9 pp -73.0 151.71 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.416 ' O ' HD12 ' A' ' 11' ' ' ILE . 16.0 m -54.75 136.64 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -72.37 -19.1 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.6 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -132.77 158.77 41.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' O ' HG23 ' A' ' 16' ' ' THR . 1.5 mm-40 -104.3 173.33 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' GLU . 13.2 p -157.07 161.06 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.637 HG21 HD11 ' A' ' 63' ' ' LEU . 5.2 t -135.67 135.92 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.752 ' HG3' HG13 ' A' ' 100' ' ' VAL . 29.8 tt0 -95.58 117.14 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.598 ' O ' HD22 ' A' ' 101' ' ' LEU . 50.9 t -103.05 110.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 100' ' ' VAL . 62.6 t -95.82 112.09 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.538 ' HB2' HG12 ' A' ' 99' ' ' VAL . 15.9 mt -109.21 148.87 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -133.85 146.03 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 108.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 97' ' ' HIS . . . 178.32 177.6 47.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -89.43 165.4 25.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.822 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.5 Cg_endo -74.93 -16.05 20.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.059 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.08 -55.9 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -12.93 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.29 -127.38 42.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.442 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 11.3 m-85 -123.9 -88.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.644 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 147.45 69.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -163.84 145.55 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -121.68 134.1 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.43 153.5 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.1 tt0 -128.33 123.28 33.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.29 -152.92 6.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.53 158.13 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -70.63 -48.24 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.1 153.47 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.0 -52.61 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.9 p -68.31 77.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.93 137.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -59.78 163.19 4.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 83' ' ' MET . 77.6 mt -112.01 118.83 36.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.6 m -78.36 -24.44 46.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.34 163.34 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.03 138.43 22.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.0 145.78 31.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.764 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.77 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -97.1 166.03 11.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.803 HG11 HD11 ' A' ' 52' ' ' ILE . 23.9 t -73.65 82.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -42.15 -57.89 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 8.5 t80 -150.98 167.76 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.803 HD11 HG11 ' A' ' 49' ' ' VAL . 42.7 mt -136.63 145.56 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.5 mt-10 -81.79 138.28 46.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.77 14.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.8 11.82 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -82.76 178.06 2.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.1 Cg_endo -75.03 -39.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -63.7 -28.77 70.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -81.88 -38.04 25.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -54.4 -29.67 49.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 108.307 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.82 -59.89 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.637 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -44.03 -36.55 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.2 144.06 38.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 13.9 pt20 -170.83 164.44 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.04 131.98 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.42 -36.54 4.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 11.2 m-20 -46.62 170.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.947 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -123.08 156.3 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.26 93.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 104' ' ' GLU . 38.3 mt -62.74 -62.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.9 p -134.36 169.16 17.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.698 HG22 ' OD1' ' A' ' 74' ' ' ASN . 67.5 mt -133.74 111.65 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.698 ' OD1' HG22 ' A' ' 73' ' ' ILE . 0.9 OUTLIER 68.73 12.02 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.3 -1.46 32.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.88 116.71 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.78 136.9 56.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.6 p -82.93 -28.66 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.0 -18.93 61.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -103.97 33.03 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.13 -172.45 25.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.2 p -108.55 151.17 26.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.73 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.51 -58.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -47.72 -57.17 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -43.71 -48.19 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.62 -50.96 68.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -62.77 -46.48 87.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -60.01 -39.86 87.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.09 -28.83 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.774 HD23 HG21 ' A' ' 99' ' ' VAL . 4.3 mt -78.05 -29.14 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -58.11 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -52.3 -39.97 61.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.704 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -60.93 -44.26 97.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.12 76.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.822 HD23 ' HB3' ' A' ' 25' ' ' PRO . 52.7 mt -61.34 -16.41 45.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -93.62 -13.8 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 6.6 m170 74.19 7.98 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.471 ' CE ' HG13 ' A' ' 20' ' ' VAL . 4.2 tttt -153.31 148.81 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.774 HG21 HD23 ' A' ' 90' ' ' LEU . 4.8 p -149.93 156.31 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.752 HG13 ' HG3' ' A' ' 18' ' ' GLU . 6.5 t -132.86 123.72 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.647 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -114.89 148.88 38.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.69 117.15 27.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -102.08 152.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.603 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.2 tt0 -110.44 145.41 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 25.8 p90 178.44 163.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -104.89 94.03 5.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t -53.72 100.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.25 -158.64 20.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 75.75 3.59 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -88.07 86.57 7.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -77.1 155.31 32.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -157.83 -58.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -43.6 144.85 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.01 170.2 41.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -131.79 166.06 22.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.48 128.14 54.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.17 170.07 13.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.23 -109.36 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.97 120.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' HB2' HD12 ' A' ' 11' ' ' ILE . 1.6 pm0 -138.84 133.05 31.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.452 HD12 ' HB2' ' A' ' 10' ' ' GLN . 3.3 mp 65.63 126.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 t 58.85 106.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -175.16 106.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.536 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -49.04 157.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.11 146.69 26.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -138.15 155.75 48.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -133.52 152.14 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.679 ' HG3' HG13 ' A' ' 100' ' ' VAL . 12.7 tt0 -114.93 117.79 31.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.57 127.87 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 100' ' ' VAL . 69.5 t -107.12 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.559 HD12 HD22 ' A' ' 31' ' ' LEU . 14.0 mt -99.84 141.63 32.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.7 148.44 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.284 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.84 178.51 46.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.49 165.41 38.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.958 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.0 -14.93 20.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.52 -49.25 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -76.37 -31.66 58.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.25 -126.19 7.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.616 ' CD2' HG11 ' A' ' 99' ' ' VAL . 11.8 m-85 -135.43 12.56 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 51.1 55.1 20.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.706 HD21 ' CD1' ' A' ' 90' ' ' LEU . 0.7 OUTLIER -149.48 142.25 24.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 0.794 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -124.87 135.76 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.85 158.61 15.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.0 114.53 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.75 -147.32 4.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.29 177.91 0.43 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.0 mm -86.19 -48.38 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -83.41 114.92 21.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.37 -46.14 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -67.14 -167.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 67.71 127.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.3 m -52.43 157.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD11 ' HA ' ' A' ' 83' ' ' MET . 21.3 mt -99.33 115.09 28.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -73.45 -28.14 61.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.5 162.83 55.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.5 Cg_endo -74.93 142.94 28.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 147.92 34.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.873 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -103.63 167.75 9.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.573 HG11 ' CD1' ' A' ' 52' ' ' ILE . 40.7 t -75.56 99.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.3 -53.11 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.339 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 24.9 t80 -151.2 169.35 22.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.575 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 27.1 mt -142.04 141.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -78.93 143.56 62.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 131.27 14.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.69 9.21 7.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -76.4 178.62 1.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.96 -39.41 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.868 ' HB1' HD23 ' A' ' 64' ' ' LEU . . . -63.64 -25.43 68.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 6.1 tm-20 -90.19 -36.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -37.18 70.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.1 m -63.49 -28.33 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.256 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.11 -54.94 2.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLY . 8.1 mt -40.02 -57.1 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.868 HD23 ' HB1' ' A' ' 58' ' ' ALA . 13.7 tp -57.89 139.19 54.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -170.33 151.06 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.8 t -47.74 127.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.36 -39.44 2.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -45.12 166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.932 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -118.36 158.05 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -130.2 94.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 104' ' ' GLU . 35.9 mt -60.49 -62.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 p -128.78 169.88 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.815 HG21 ' CD2' ' A' ' 90' ' ' LEU . 92.6 mt -130.84 110.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.65 7.34 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.88 -0.32 25.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.616 HG21 HD11 ' A' ' 89' ' ' LEU . 3.5 mm -98.64 120.27 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 122.7 19.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 71' ' ' LEU . 25.1 p -69.51 -26.57 64.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.06 -15.66 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -100.91 40.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.07 -170.82 42.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.0 p -103.69 160.46 14.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.431 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.742 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.9 -58.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -42.49 -58.56 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -38.35 -51.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.14 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.2 m120 -62.92 -55.87 22.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -46.09 -34.21 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 76' ' ' ILE . 23.9 mt -66.54 -49.48 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.815 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -55.13 -36.11 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.94 -68.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -49.7 -36.03 23.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -66.06 -37.88 86.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.958 HD23 ' HB3' ' A' ' 25' ' ' PRO . 53.8 mt -66.37 -16.88 64.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.92 40.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 67.88 11.36 8.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.62 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.27 153.21 32.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.616 HG11 ' CD2' ' A' ' 29' ' ' PHE . 12.3 p -161.48 144.15 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.679 HG13 ' HG3' ' A' ' 18' ' ' GLU . 63.6 t -114.19 133.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.31 145.08 47.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 111.64 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -99.77 155.4 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.683 ' HB2' HD11 ' A' ' 71' ' ' LEU . 3.9 tt0 -121.35 136.81 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -169.58 179.8 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.48 9.66 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.3 t 62.23 89.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.048 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.23 134.65 2.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.05 2.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.2 p -61.65 116.4 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.3 m 63.28 147.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.969 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.7 158.88 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -154.25 170.39 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.67 65.7 1.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -140.32 170.51 15.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.777 . . . . 0.0 110.039 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -40.26 103.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 -98.04 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.76 -92.5 0.47 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.95 -159.1 8.04 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -122.43 66.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.3 tt -45.62 139.0 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.832 HG13 ' CD2' ' A' ' 13' ' ' HIS . 13.8 p -160.6 156.65 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.832 ' CD2' HG13 ' A' ' 12' ' ' VAL . 28.2 p80 49.98 -177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.61 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 15' ' ' GLU . 2.0 m -50.49 177.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.389 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 16' ' ' THR . 1.4 mm-40 -113.68 170.95 7.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' GLU . 1.9 p -152.9 134.2 14.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 t -114.97 131.95 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.518 ' CG ' HG13 ' A' ' 100' ' ' VAL . 18.7 tt0 -98.42 118.24 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.586 ' O ' HD22 ' A' ' 101' ' ' LEU . 51.5 t -107.1 134.92 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -115.02 107.12 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 21.7 mt -101.5 147.33 26.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.77 145.78 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.15 -172.77 42.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.38 166.39 13.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.718 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.01 -16.64 20.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.87 -47.63 5.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -82.22 -1.47 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.16 -117.97 3.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.44 -89.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.64 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 151.33 56.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.438 HD21 HD11 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -150.69 141.4 22.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -119.38 130.04 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.6 mt -88.11 156.66 19.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.0 tt0 -141.38 109.54 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -127.56 -155.86 8.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . -134.71 -175.23 13.77 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 36' ' ' GLY . 1.2 mp 59.01 156.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -43.28 150.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.75 -38.5 7.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 1.2 t -106.13 99.47 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.71 ' C ' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER 166.74 137.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.617 ' N ' HG22 ' A' ' 82' ' ' THR . 50.9 m -42.88 151.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 83' ' ' MET . 62.2 mt -104.56 126.69 51.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.1 p -76.84 -27.88 55.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.493 ' CA ' ' OE1' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -134.62 163.33 51.99 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.98 139.54 24.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.01 147.45 33.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.699 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -107.65 171.03 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.559 HG21 HD21 ' A' ' 64' ' ' LEU . 37.6 t -75.57 98.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.58 -52.06 67.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.4 t80 -149.6 169.82 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 81.1 mt -139.31 141.6 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.44 138.08 51.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.83 14.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.61 11.76 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -85.34 178.05 2.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.97 -40.34 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -63.31 -22.77 67.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -88.62 -38.15 15.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.44 -24.84 65.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.57 -28.09 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 -57.77 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.559 HD21 HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -72.58 134.51 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.443 ' HA ' HD12 ' A' ' 52' ' ' ILE . 26.4 pt20 -167.31 154.77 8.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 55.7 t -45.27 130.98 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.75 -33.12 5.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -53.59 132.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.945 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.7 mtp180 -85.41 163.66 18.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.41 88.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 104' ' ' GLU . 50.7 mt -58.11 -59.41 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 11.1 p -130.83 164.82 24.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 67.3 mt -134.78 111.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER 76.47 2.06 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.06 -3.52 20.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.518 ' HB ' HD13 ' A' ' 89' ' ' LEU . 12.5 mm -98.35 126.38 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.51 126.24 30.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 71' ' ' LEU . 20.5 p -71.24 -30.73 66.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' OE1' ' CA ' ' A' ' 45' ' ' SER . 4.3 mm-40 -66.69 -21.17 66.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.62 17.93 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.44 -170.1 12.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.71 HG22 ' C ' ' A' ' 41' ' ' GLU . 8.1 p -112.41 152.01 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.504 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.26 -58.24 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -57.01 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -43.85 -51.94 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.59 -47.01 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -64.18 -49.25 72.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.45 -40.93 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.518 HD13 ' HB ' ' A' ' 76' ' ' ILE . 37.2 mt -56.94 -33.77 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.863 HD23 HG21 ' A' ' 99' ' ' VAL . 2.6 mt -72.99 -36.18 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 2.5 mtt-85 -61.88 -61.09 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -49.45 -52.28 30.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.674 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -48.39 -47.97 37.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -53.78 -44.54 70.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.718 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.2 mt -60.95 -17.23 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.08 -13.72 24.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 m170 74.95 10.77 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 147.64 25.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.863 HG21 HD23 ' A' ' 90' ' ' LEU . 7.9 p -151.72 148.07 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.734 ' C ' HD13 ' A' ' 101' ' ' LEU . 87.8 t -121.15 133.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.734 HD13 ' C ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -125.87 153.47 44.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.56 116.31 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.945 HG13 ' O ' ' A' ' 69' ' ' ARG . 2.0 t -99.35 158.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 71' ' ' LEU . 19.9 tt0 -119.42 132.14 55.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 6.5 p90 -173.85 169.99 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.2 110.81 23.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.78 79.33 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -165.55 -172.33 32.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 57.64 4.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.7 t 43.09 78.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.5 p -124.31 134.25 53.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.133 . . . . 0.0 111.006 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.72 141.8 30.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -41.08 143.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.56 162.89 36.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.0 160.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -94.15 102.01 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.89 -157.55 15.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.89 -91.7 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.49 88.03 0.06 OUTLIER Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -134.94 89.61 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 pt -113.58 136.35 50.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -78.45 119.15 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -111.78 -59.34 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.615 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 105' ' ' PHE . 5.3 m -141.64 159.56 41.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -81.5 150.77 28.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 2.4 p -135.89 157.02 47.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.403 HG22 ' HB ' ' A' ' 103' ' ' VAL . 6.7 t -133.42 142.53 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.717 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.0 tt0 -106.98 116.53 32.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.616 HG13 ' SG ' ' A' ' 61' ' ' CYS . 66.1 t -108.26 132.7 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 t -108.93 101.53 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.513 HD12 ' CD2' ' A' ' 31' ' ' LEU . 10.7 mt -95.37 150.21 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -135.23 145.32 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.3 37.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.75 167.07 12.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.488 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.81 -47.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.55 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.11 -152.11 46.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -103.33 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.739 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.99 58.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 90' ' ' LEU . 1.5 pp -155.72 133.18 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' CYS . 3.0 mm-40 -109.43 126.65 53.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 70' ' ' VAL . 73.6 mt -89.57 147.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.843 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.8 tt0 -129.98 122.12 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.36 153.73 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . 41.95 94.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' GLY . 5.8 mt -39.48 -39.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -92.94 168.04 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.34 -57.81 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 41.2 p -67.26 91.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER 166.12 145.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.6 m -66.64 155.42 37.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.803 HD11 ' HA ' ' A' ' 83' ' ' MET . 25.3 mt -102.38 109.95 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' OE1' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -72.4 -23.49 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 p -134.52 163.53 50.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -75.0 141.23 26.39 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.888 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -94.63 169.83 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 52' ' ' ILE . 20.0 t -83.24 85.72 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -46.1 -59.6 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 20.2 t80 -144.12 170.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 49' ' ' VAL . 7.5 mt -141.45 138.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -72.05 139.98 82.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.07 17.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.41 13.04 8.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.69 178.62 2.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -38.67 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -65.3 -25.19 67.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -85.8 -41.47 15.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -53.75 -26.51 23.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 19' ' ' VAL . 1.2 m -63.29 -28.34 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 -57.84 0.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.38 -31.51 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -83.47 133.17 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 52' ' ' ILE . 6.6 mt-30 -164.42 175.56 9.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.97 131.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.06 -42.86 1.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.66 150.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.991 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.6 mpp_? -106.63 161.35 14.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.444 HG21 HD21 ' A' ' 33' ' ' LEU . 91.7 t -134.18 88.65 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' A' ' 104' ' ' GLU . 52.3 mt -55.13 -57.93 9.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 62.6 p -132.11 167.36 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.764 HG21 ' CD2' ' A' ' 90' ' ' LEU . 95.7 mt -130.82 110.89 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.99 8.2 6.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.96 0.88 27.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.446 HG21 HD11 ' A' ' 89' ' ' LEU . 5.8 mm -98.92 118.43 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.78 118.06 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.3 p -66.65 -23.79 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 44' ' ' SER . 2.8 mm-40 -72.35 -24.68 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -97.3 16.27 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.39 -178.22 19.01 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.3 p -99.78 157.18 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.803 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.97 -58.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -48.92 -56.01 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -37.92 -55.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.34 -47.67 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' LEU . 6.1 m120 -65.48 -61.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -41.36 -35.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 76' ' ' ILE . 28.8 mt -63.74 -49.06 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.764 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -56.46 -28.38 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -62.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.66 -28.43 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HB1' HG23 ' A' ' 99' ' ' VAL . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.24 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.488 HD23 ' CB ' ' A' ' 25' ' ' PRO . 64.5 mt -60.7 -15.55 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.5 -9.93 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.7 m80 68.21 8.29 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -153.87 158.51 40.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.472 HG13 HD21 ' A' ' 101' ' ' LEU . 9.9 p -161.84 164.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.717 HG13 ' HG3' ' A' ' 18' ' ' GLU . 39.8 t -132.47 120.24 41.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.796 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -110.11 133.61 53.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -110.99 110.93 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.991 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.8 t -98.03 156.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.65 ' CG ' HD11 ' A' ' 71' ' ' LEU . 4.9 tt0 -124.79 129.98 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 14' ' ' THR . 3.4 p90 -161.3 166.75 27.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.67 9.95 37.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.9 p 57.91 105.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.88 172.94 36.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 129.9 12.81 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 t -154.56 126.35 7.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.4 t -147.31 151.85 37.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.36 158.73 34.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.19 114.05 17.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.04 -139.83 6.61 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t 62.61 129.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.0 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.2 131.3 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.15 -161.94 9.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.18 156.39 12.28 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.92 -120.51 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -89.32 116.46 27.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 mm -64.33 127.5 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.32 110.2 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -78.32 -65.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.612 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 15' ' ' GLU . 2.4 m -116.51 176.56 5.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' H ' HG22 ' A' ' 14' ' ' THR . 2.2 mt-10 -118.97 164.84 14.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -140.62 143.11 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -123.81 142.26 51.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.645 ' HG3' HG13 ' A' ' 100' ' ' VAL . 19.5 tt0 -109.0 121.49 45.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.578 ' O ' HD22 ' A' ' 101' ' ' LEU . 66.8 t -114.31 131.87 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG22 HG22 ' A' ' 100' ' ' VAL . 76.8 t -112.3 109.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 58' ' ' ALA . 71.5 mt -100.53 141.66 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 113.1 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.3 170.16 32.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 50.4 m-20 -81.09 155.77 72.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.969 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -33.46 4.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.02 -56.46 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -85.17 -25.46 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 88.69 -125.16 7.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -127.06 -85.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.89 59.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD11 HD11 ' A' ' 90' ' ' LEU . 1.9 pp -155.24 130.66 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -111.12 127.56 55.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.793 HD21 HG21 ' A' ' 70' ' ' VAL . 27.9 mt -88.49 160.5 17.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.67 112.55 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.36 -148.23 4.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.65 177.42 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 mp -89.86 -45.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -82.65 118.61 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -44.57 -44.8 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -70.57 -168.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' THR . 2.2 mt-10 67.18 108.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.574 ' N ' HG22 ' A' ' 82' ' ' THR . 17.1 m -39.1 158.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.851 HD11 ' HA ' ' A' ' 83' ' ' MET . 65.2 mt -100.58 117.37 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -79.18 -22.51 44.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 p -134.27 157.65 77.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.6 Cg_endo -74.99 138.01 22.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.02 139.91 24.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.836 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -91.61 165.38 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 52' ' ' ILE . 79.0 t -74.55 96.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 t -57.0 -55.98 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.1 t80 -147.95 168.85 21.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.606 HD11 HG11 ' A' ' 49' ' ' VAL . 79.1 mt -137.24 143.16 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -76.31 140.53 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 125.27 9.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.61 20.02 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.498 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.88 177.64 2.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.051 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.92 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.962 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -60.16 -34.61 73.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLY . 4.6 tp10 -78.18 -41.97 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -50.54 -36.06 32.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.417 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 14.8 m -63.27 -28.34 69.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 76.55 -53.84 3.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -43.26 -39.62 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.962 HD13 ' HB1' ' A' ' 58' ' ' ALA . 2.2 tt -71.94 132.35 44.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 8.1 pt20 -162.27 154.77 19.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.17 136.11 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.9 -35.23 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 52.5 m-20 -45.47 140.85 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.836 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.29 134.39 40.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.793 HG21 HD21 ' A' ' 33' ' ' LEU . 69.1 t -103.62 102.68 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' A' ' 104' ' ' GLU . 28.1 mt -72.01 -60.04 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 p -133.41 164.57 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 33' ' ' LEU . 96.7 mt -135.01 112.31 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.561 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.4 t-20 74.03 8.8 4.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.3 5.14 34.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.456 HG21 HD11 ' A' ' 89' ' ' LEU . 3.4 mm -107.71 120.23 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.42 121.39 19.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.9 p -61.65 -32.11 72.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.11 -15.5 62.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.97 32.35 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.11 -174.18 37.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 42' ' ' THR . 79.4 p -102.14 156.63 17.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.851 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.95 -58.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -47.76 -59.89 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.22 -46.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -57.96 -51.81 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -61.88 -40.22 94.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 76' ' ' ILE . 25.7 mt -58.27 -34.54 70.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.735 HD23 HG21 ' A' ' 99' ' ' VAL . 3.0 mt -70.85 -35.05 72.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -58.1 -65.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -48.39 -48.58 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -52.33 -49.06 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 25' ' ' PRO . . . -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.969 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.8 mt -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -90.6 -9.84 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 66.67 15.34 10.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -153.13 142.17 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.735 HG21 HD23 ' A' ' 90' ' ' LEU . 6.3 p -150.82 147.7 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 18' ' ' GLU . 73.7 t -119.26 126.79 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.77 144.9 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.56 112.24 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.69 145.17 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.729 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.8 tt0 -109.08 142.19 40.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 14' ' ' THR . 6.5 p90 -179.19 165.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -99.72 102.03 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.4 t -58.4 101.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.0 -144.54 4.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.81 23.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 p -95.7 139.36 32.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.0 t -132.82 156.15 47.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -169.73 132.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.021 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -90.12 161.29 15.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.52 107.39 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.1 111.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -135.27 160.3 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.95 -127.21 1.02 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.86 -165.02 18.14 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.33 72.58 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -55.56 164.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 mt -97.73 135.58 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -134.98 134.28 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -125.47 -55.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 105' ' ' PHE . 1.7 m -73.8 -171.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' THR . 1.8 mm-40 -115.71 178.64 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 15' ' ' GLU . 3.6 p -157.61 140.54 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -125.97 133.94 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' CG ' HG13 ' A' ' 100' ' ' VAL . 33.4 tt0 -90.52 116.44 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.73 HG11 HD22 ' A' ' 64' ' ' LEU . 69.1 t -103.69 106.31 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.655 HG22 HG22 ' A' ' 100' ' ' VAL . 42.2 t -99.08 112.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -110.98 150.66 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 m -129.98 112.59 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.84 169.24 26.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.93 162.54 57.02 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.83 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.0 -14.16 21.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -53.92 4.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.1 p -78.09 -25.09 47.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.06 -125.79 7.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 31.7 m-85 -131.16 11.19 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 48.61 50.07 25.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.714 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -147.43 142.37 26.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -119.18 145.76 45.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD21 HG21 ' A' ' 70' ' ' VAL . 39.4 mt -105.5 141.42 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.497 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.5 tt0 -113.7 125.28 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.75 -148.87 5.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.21 155.95 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.62 -48.85 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.11 163.1 27.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' ' 84' ' ' GLU . . . -91.59 -49.31 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.2 p -74.77 90.71 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.48 136.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -69.8 158.07 36.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 83' ' ' MET . 31.2 mt -101.2 111.16 23.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 p -76.29 -25.12 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.3 163.47 50.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.5 Cg_endo -74.93 140.85 26.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 158.97 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -113.38 162.63 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 52' ' ' ILE . 25.3 t -65.93 82.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 5.5 t -43.49 -60.49 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.598 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 37.0 t80 -143.56 171.39 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.598 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.1 mt -140.7 140.32 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.28 142.38 35.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 142.7 27.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.771 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.32 15.51 5.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -91.11 178.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.714 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -64.8 -25.9 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.0 tp10 -91.92 -38.32 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -33.79 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.53 69.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.078 . . . . 0.0 108.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 69.77 -58.28 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.52 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -49.32 -42.97 43.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.73 HD22 HG11 ' A' ' 19' ' ' VAL . 6.9 tp -64.81 130.22 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -160.3 156.17 25.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -42.84 132.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.97 -40.56 2.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.643 ' OD2' HD12 ' A' ' 64' ' ' LEU . 2.4 m-20 -46.57 128.95 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.904 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -83.18 170.13 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.453 HG12 HG21 ' A' ' 78' ' ' THR . 91.2 t -138.75 88.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.552 HD11 ' HG3' ' A' ' 104' ' ' GLU . 43.4 mt -56.05 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.0 p -132.29 165.47 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.709 HG21 ' CD2' ' A' ' 90' ' ' LEU . 89.4 mt -124.1 110.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.1 6.23 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.93 4.9 25.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.9 mm -106.62 120.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.45 133.93 56.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.453 HG21 HG12 ' A' ' 70' ' ' VAL . 47.0 p -78.18 -13.3 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 40.9 mt-10 -84.86 -14.82 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.29 19.94 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.89 155.47 26.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 85' ' ' GLU . 82.3 p -71.8 166.85 21.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.46 ' HA ' HD11 ' A' ' 43' ' ' LEU . 8.8 tpt -49.21 -22.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG3' ' HB1' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -85.82 -29.28 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -62.86 -47.67 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.68 76.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.03 -52.81 57.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -47.85 -33.82 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 89' ' ' LEU . 15.4 mt -65.7 -50.77 63.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.709 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -55.03 -36.69 65.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.614 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -55.96 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -49.23 -46.42 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.17 -30.08 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -68.41 -33.57 74.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' A' ' 25' ' ' PRO . 66.2 mt -70.66 -14.87 62.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.38 -14.96 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 73.83 9.4 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.89 144.31 23.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 13.1 p -150.8 148.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.655 HG22 HG22 ' A' ' 20' ' ' VAL . 45.4 t -121.36 141.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mt -133.31 151.78 51.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.81 111.61 15.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.9 t -93.17 160.27 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.552 ' HG3' HD11 ' A' ' 71' ' ' LEU . 5.6 tt0 -123.06 132.75 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.564 ' O ' HG22 ' A' ' 14' ' ' THR . 6.9 p90 -176.57 170.52 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -106.87 112.77 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -74.57 98.75 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.03 174.68 39.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.4 m -137.63 132.63 33.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.5 m 53.47 84.73 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -173.49 169.09 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -167.31 132.14 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.63 178.02 38.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -84.77 93.22 8.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -123.52 123.04 39.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.57 172.3 35.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.44 -114.67 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.71 173.39 35.01 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.04 82.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.786 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -44.33 144.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 13' ' ' HIS . 4.2 p -44.17 -49.7 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.403 ' N ' HG13 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 78.9 119.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.598 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 105' ' ' PHE . 6.5 m 61.08 165.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 16' ' ' THR . 2.1 mt-10 -91.72 163.26 14.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' GLU . 2.7 p -154.91 147.71 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -119.73 136.0 54.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.581 ' HG3' HG13 ' A' ' 100' ' ' VAL . 17.4 tt0 -103.5 119.05 38.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG1' ' SG ' ' A' ' 61' ' ' CYS . 86.5 t -106.74 158.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.7 t -130.01 97.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.641 HD21 ' CB ' ' A' ' 58' ' ' ALA . 1.0 OUTLIER -88.73 133.21 34.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -119.73 145.2 46.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 108.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.35 178.03 48.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.52 167.17 17.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -74.95 -14.47 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -105.15 -44.79 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -74.34 -16.22 60.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.53 -141.86 48.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -117.92 -90.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.853 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.17 66.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.69 135.4 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -117.21 132.73 56.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 70' ' ' VAL . 22.5 mt -95.83 160.17 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -137.07 112.05 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.43 -143.08 3.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.68 179.74 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mm -99.52 -56.68 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -64.6 125.44 24.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.67 -43.51 36.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -72.7 -168.62 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 68.03 116.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -55.53 161.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 83' ' ' MET . 72.5 mt -93.86 123.11 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -26.19 32.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.36 163.32 52.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.01 138.08 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.02 150.76 38.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -99.09 161.75 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 52' ' ' ILE . 40.7 t -72.71 86.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 t -47.11 -56.98 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.3 t80 -149.7 168.61 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 8.3 mt -138.76 140.21 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.06 138.42 72.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.6 19.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 68.85 9.0 7.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.0 178.44 2.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -59.38 -24.47 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.3 -42.07 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -54.96 -23.22 18.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 8.3 t -63.33 -27.88 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.08 -58.61 0.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -50.15 -40.65 47.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.34 159.09 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 171.81 158.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.4 133.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.44 -41.38 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.55 159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.753 ' HG3' HD23 ' A' ' 48' ' ' LEU . 1.3 mpp_? -117.27 118.29 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 55.9 t -86.07 112.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 104' ' ' GLU . 20.0 mt -79.41 -57.22 3.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.1 p -136.89 167.18 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.573 HD11 HD11 ' A' ' 33' ' ' LEU . 69.1 mt -135.55 112.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 74.9 8.66 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.63 -0.68 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.1 mm -102.18 127.67 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.62 131.65 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 p -68.96 -27.15 65.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -67.09 -13.82 62.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.81 32.18 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.77 165.22 38.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.2 p -88.64 160.35 17.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.465 ' HA ' HD11 ' A' ' 43' ' ' LEU . 6.6 tpt -43.31 -42.47 4.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.2 -40.74 78.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -53.45 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.77 -40.82 80.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -67.41 -45.16 76.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.3 mt -52.46 -32.07 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.655 ' CD2' HG21 ' A' ' 99' ' ' VAL . 6.6 mt -76.58 -37.61 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -62.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.587 ' HA ' HD12 ' A' ' 95' ' ' LEU . 27.4 t70 -53.35 -38.54 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 96' ' ' ALA . . . -60.99 -45.8 93.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.45 -35.62 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 92' ' ' ASP . 16.9 mt -70.0 -18.67 63.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -86.38 -9.76 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 70.16 7.34 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.579 ' NZ ' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -153.47 156.22 37.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.655 HG21 ' CD2' ' A' ' 90' ' ' LEU . 10.9 p -156.24 149.65 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.581 HG13 ' HG3' ' A' ' 18' ' ' GLU . 72.7 t -116.89 125.9 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.794 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.9 141.57 47.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.09 112.76 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.9 t -100.22 151.5 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.676 ' HB2' HD11 ' A' ' 71' ' ' LEU . 35.6 tt0 -110.57 145.54 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.493 ' O ' HG22 ' A' ' 14' ' ' THR . 17.1 p90 178.39 158.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -99.4 93.86 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -50.25 113.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 125.58 152.3 8.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.07 37.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 80.6 p -149.36 148.44 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.76 86.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.33 165.77 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.947 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 m 60.37 113.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.83 106.28 3.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.6 167.14 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.98 108.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.31 86.61 0.83 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.15 173.34 22.49 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.83 155.64 16.17 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -72.25 152.91 41.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.327 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 pt -75.42 166.85 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -160.86 128.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -143.79 -63.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.418 ' CG2' ' HG2' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -100.61 152.75 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.439 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -97.01 160.32 14.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.475 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -127.49 131.83 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.596 ' CG ' HG13 ' A' ' 100' ' ' VAL . 31.3 tt0 -97.91 114.15 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.797 ' CG1' HD13 ' A' ' 21' ' ' LEU . 3.3 t -103.69 132.49 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.46 97.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.797 HD13 ' CG1' ' A' ' 19' ' ' VAL . 2.0 mp -90.66 132.35 35.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -121.65 152.55 39.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 -167.04 37.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 166.89 10.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -101.03 -51.16 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -72.33 -30.46 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.7 -141.09 26.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 94' ' ' ALA . 12.3 m-85 -117.57 -92.58 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.815 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 147.21 64.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.088 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.868 HD21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -155.18 137.95 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -120.1 124.94 47.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 70' ' ' VAL . 25.4 mt -86.81 160.69 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -140.85 111.4 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.06 -156.84 7.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -43.85 142.32 2.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.16 -38.32 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -87.46 153.05 21.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.82 -36.84 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.0 p -82.74 80.36 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.79 123.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 82' ' ' THR . 48.6 m -46.06 157.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.792 HD11 ' HA ' ' A' ' 83' ' ' MET . 24.0 mt -102.98 119.15 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -88.87 -18.64 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.8 p -134.41 157.03 78.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -75.03 136.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.01 146.47 32.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -95.43 166.86 11.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG11 ' CD1' ' A' ' 52' ' ' ILE . 24.7 t -75.45 87.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 t -46.7 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 5.8 t80 -145.66 167.92 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.587 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 13.7 mt -137.43 146.45 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.65 139.31 35.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.406 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.3 Cg_endo -74.98 132.58 15.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 2.4 t0 74.81 6.31 4.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.51 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.02 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -57.5 -23.51 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -87.11 -43.15 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -55.27 -18.23 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.788 ' SG ' HG13 ' A' ' 19' ' ' VAL . 15.9 m -62.96 -25.81 68.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.32 -61.07 0.6 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.009 HD13 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.82 -27.62 66.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.009 ' N ' HD13 ' A' ' 63' ' ' LEU . 3.8 tp -72.3 136.76 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -167.89 150.32 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 10.4 t -43.4 128.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.39 35.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 3.2 m-20 -74.57 129.31 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.732 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -80.71 169.14 18.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.553 HG21 HD21 ' A' ' 33' ' ' LEU . 90.1 t -139.44 88.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.562 HD11 ' CG ' ' A' ' 104' ' ' GLU . 53.7 mt -54.09 -63.7 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 p -127.64 167.6 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 33' ' ' LEU . 96.7 mt -134.56 111.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 75.55 3.18 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -1.1 23.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.7 mm -104.54 126.27 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.763 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.54 130.46 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 50.1 p -72.54 -14.75 61.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -84.01 -19.64 34.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -94.07 43.02 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.15 -171.09 40.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 42' ' ' THR . 28.6 p -102.1 159.72 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.792 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -42.75 -64.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -45.0 -58.96 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -38.99 -45.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -58.2 -49.09 78.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' GLU . 4.9 m120 -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 tp60 -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 89' ' ' LEU . 11.8 mt -49.05 -32.25 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.868 HD11 HD21 ' A' ' 31' ' ' LEU . 3.1 mt -74.23 -37.27 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -56.5 -59.07 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.08 -41.35 83.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.546 ' O ' ' HB3' ' A' ' 96' ' ' ALA . . . -57.13 -50.01 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -51.62 -40.55 60.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 86.9 mt -62.2 -21.3 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -81.11 -20.87 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 96' ' ' ALA . 1.4 m-70 85.25 -4.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.563 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 152.06 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.481 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 8.2 p -156.42 151.61 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.596 HG13 ' CG ' ' A' ' 18' ' ' GLU . 98.9 t -113.71 129.83 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.43 ' CD2' HG12 ' A' ' 73' ' ' ILE . 54.2 mt -117.72 143.96 45.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -122.61 113.77 19.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 69' ' ' ARG . 5.5 t -101.68 161.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.562 ' CG ' HD11 ' A' ' 71' ' ' LEU . 6.6 tt0 -132.44 112.86 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.473 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 2.6 p90 -146.12 167.55 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.7 9.39 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.02 99.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.95 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -122.42 -160.04 10.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.19 5.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.5 m -73.75 133.8 43.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.88 123.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -173.06 105.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.961 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -152.27 129.34 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.89 -89.76 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.437 1.086 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -46.19 161.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.69 -59.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.99 -102.62 0.69 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.05 -149.06 19.31 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.3 122.77 1.23 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -100.59 148.01 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 110.259 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp 63.03 142.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.59 140.03 42.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.42 109.56 22.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.9 m 56.85 166.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.4 mp0 -100.15 154.11 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -143.5 151.92 40.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.8 t -126.69 150.34 49.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.633 ' HG3' HG13 ' A' ' 100' ' ' VAL . 7.1 tt0 -112.8 117.69 32.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.482 ' O ' HD22 ' A' ' 101' ' ' LEU . 59.6 t -105.22 129.5 57.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 100' ' ' VAL . 85.4 t -114.37 120.61 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 58' ' ' ALA . 77.4 mt -117.04 144.9 44.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.74 112.94 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.07 -174.95 17.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.69 164.3 19.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.998 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -74.97 -22.21 15.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -54.86 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -74.46 -7.89 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.87 -138.73 44.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 10.9 m-85 -115.75 -87.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.694 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.45 66.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 2.6 pp -161.12 134.51 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -113.31 131.88 55.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.825 HD21 HG21 ' A' ' 70' ' ' VAL . 39.8 mt -93.95 159.26 15.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 tt0 -139.86 114.88 9.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.87 6.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.5 157.3 0.48 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mt -67.18 -51.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -82.81 136.37 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -80.2 -44.4 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.4 p -68.47 78.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.47 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -57.1 160.84 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.774 HD11 ' HA ' ' A' ' 83' ' ' MET . 45.2 mt -109.02 119.49 39.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -25.78 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.434 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 1.5 p -134.37 161.7 62.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -74.97 139.94 24.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.02 139.38 24.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.808 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -91.21 164.46 13.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 52' ' ' ILE . 27.0 t -75.15 95.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.47 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 108.281 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 6.1 t80 -153.01 167.33 29.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 17.4 mt -136.83 147.18 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.0 OUTLIER -79.06 138.39 56.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.4 Cg_endo -74.95 122.26 7.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 76.34 17.18 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -83.22 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.029 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.95 -43.15 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.993 ' HB1' HD22 ' A' ' 64' ' ' LEU . . . -58.91 -31.75 68.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 10.3 tp10 -83.08 -37.98 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -53.0 -39.13 62.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 m -63.07 -29.17 70.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 108.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.96 -53.07 2.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' GLY . 5.9 mt -38.1 -52.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.993 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.1 tp -67.31 143.14 56.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 2.0 mt-30 -168.34 163.42 12.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.65 129.92 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.5 -30.13 9.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.64 173.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.808 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -128.15 122.16 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.825 HG21 HD21 ' A' ' 33' ' ' LEU . 69.4 t -91.24 113.5 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 104' ' ' GLU . 19.3 mt -80.15 -54.92 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.6 p -142.38 167.42 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.779 HG21 ' CD2' ' A' ' 90' ' ' LEU . 63.5 mt -129.52 111.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 68.33 13.43 9.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.0 4.23 41.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 89' ' ' LEU . 3.2 mm -99.98 111.43 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 115.08 5.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 p -61.46 -16.46 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 45' ' ' SER . 3.7 mm-40 -82.01 -16.52 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -102.57 24.73 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.22 -162.21 11.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 p -112.82 154.41 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.774 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.32 -61.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.555 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -44.11 -56.0 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.91 -55.4 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.14 -49.19 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -63.6 -50.24 70.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -50.59 -34.6 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.566 HD11 HG21 ' A' ' 76' ' ' ILE . 17.0 mt -64.18 -48.14 77.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.779 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -56.81 -28.73 61.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -55.4 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.614 ' HA ' HD12 ' A' ' 95' ' ' LEU . 1.6 t0 -60.22 -37.76 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.591 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -60.19 -37.21 79.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.998 HD23 ' HB3' ' A' ' 25' ' ' PRO . 14.3 mt -65.42 -12.98 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.5 -10.71 23.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 67.68 9.55 7.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.629 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 140.33 19.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.591 HG23 ' CB ' ' A' ' 93' ' ' ALA . 9.2 p -143.62 161.57 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.4 t -134.57 123.94 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -112.74 153.26 28.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -127.95 112.61 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.98 151.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.595 ' HB2' HD11 ' A' ' 71' ' ' LEU . 3.1 tt0 -114.18 144.17 43.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -175.71 159.44 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -99.1 10.89 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 p 62.21 97.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 162.25 -146.8 12.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.37 41.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.17 107.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.92 151.44 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.76 163.13 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -132.73 -58.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.62 -175.62 0.17 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.6 154.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.5 -56.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.97 -109.53 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.32 -159.9 9.24 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.08 123.9 1.26 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -101.74 152.86 20.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 mt -93.12 131.65 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.524 HG22 ' H ' ' A' ' 13' ' ' HIS . 4.7 p -167.65 171.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.524 ' H ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER 62.79 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.637 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 105' ' ' PHE . 5.5 m -94.76 170.96 9.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -99.31 152.41 19.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.05 145.42 47.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -127.56 137.91 52.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.624 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.4 tt0 -103.69 116.26 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.453 HG12 HD23 ' A' ' 101' ' ' LEU . 52.3 t -101.13 137.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.95 109.26 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HB2' HG12 ' A' ' 99' ' ' VAL . 43.7 mt -105.5 144.94 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.92 113.17 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.74 -177.99 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.33 166.57 22.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.553 0.796 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.852 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.05 -24.31 12.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.36 -47.34 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 t -76.6 -3.05 35.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.14 -116.92 4.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.486 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 20.3 m-85 -136.66 -87.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.63 64.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -161.82 132.47 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.3 137.88 47.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 70' ' ' VAL . 45.7 mt -99.63 151.72 20.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.654 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.7 tt0 -128.22 122.6 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.16 -150.73 5.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.38 162.56 6.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.4 -47.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -74.91 94.17 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -42.01 -57.62 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -63.54 82.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.564 ' C ' HG22 ' A' ' 82' ' ' THR . 1.2 mm-40 175.31 130.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.466 ' N ' HG22 ' A' ' 82' ' ' THR . 23.0 m -52.89 158.48 1.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.769 HD11 ' HA ' ' A' ' 83' ' ' MET . 80.3 mt -109.98 113.44 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 m -70.69 -25.61 63.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.65 163.52 50.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.04 140.9 25.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.99 139.04 23.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.443 1.759 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.818 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -90.0 163.72 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 52' ' ' ILE . 44.8 t -75.02 91.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -50.56 -61.08 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.9 t80 -145.38 169.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.826 HD11 HG11 ' A' ' 49' ' ' VAL . 94.7 mt -139.12 144.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -77.07 137.44 65.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.2 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 4.2 t0 76.73 12.22 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.64 178.02 2.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.93 -44.19 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -55.86 -37.05 68.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -78.81 -36.84 42.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -54.46 -38.72 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.66 -28.84 70.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.33 -52.36 3.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -44.49 -35.91 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.24 127.84 32.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 6.8 mt-30 -156.39 165.72 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.46 135.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.33 -31.76 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 48.9 m-20 -46.22 139.03 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.818 ' HG3' HD23 ' A' ' 48' ' ' LEU . 1.5 mpp_? -98.04 124.86 42.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 33' ' ' LEU . 24.3 t -94.95 111.12 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 104' ' ' GLU . 31.2 mt -78.88 -57.56 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 25.1 p -135.07 168.3 19.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.897 HG22 ' ND2' ' A' ' 74' ' ' ASN . 72.2 mt -139.8 113.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.897 ' ND2' HG22 ' A' ' 73' ' ' ILE . 1.5 m-80 75.91 2.82 3.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.4 -2.38 23.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 13.0 mm -101.16 128.95 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.7 131.0 40.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.407 HG21 HG12 ' A' ' 70' ' ' VAL . 38.7 p -70.18 -33.99 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.27 -15.33 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -106.83 38.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.51 -169.62 33.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.564 HG22 ' C ' ' A' ' 41' ' ' GLU . 23.5 p -108.13 152.08 25.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.769 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.92 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.509 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -47.08 -60.69 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -38.78 -48.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -56.05 -51.59 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -62.38 -46.24 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -58.32 -44.28 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.49 ' HB3' ' ND2' ' A' ' 74' ' ' ASN . 19.8 mt -53.73 -34.71 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.668 ' CD2' HG21 ' A' ' 99' ' ' VAL . 3.3 mt -72.14 -30.72 65.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -58.93 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.66 -46.87 86.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.57 -45.29 26.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.79 90.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.852 HD23 ' HB3' ' A' ' 25' ' ' PRO . 85.8 mt -62.5 -14.7 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.16 -7.84 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 66.29 12.35 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.643 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.23 143.65 22.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.668 HG21 ' CD2' ' A' ' 90' ' ' LEU . 7.8 p -145.18 148.57 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.624 HG13 ' HG3' ' A' ' 18' ' ' GLU . 78.5 t -119.62 124.49 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.784 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -118.43 137.28 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.5 113.38 21.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.61 150.64 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.804 ' HB2' HD11 ' A' ' 71' ' ' LEU . 8.4 tt0 -112.9 143.25 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.48 ' O ' HG22 ' A' ' 14' ' ' THR . 10.3 p90 179.59 168.23 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.03 113.08 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.4 t -67.66 103.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.83 147.44 4.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.69 18.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.6 m -126.01 154.81 42.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.8 p -123.11 147.21 47.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.84 104.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.039 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.55 78.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.72 -74.79 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.58 93.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.31 143.98 49.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.63 -178.56 48.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.55 -93.44 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.53 -166.75 29.93 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.74 170.93 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.55 153.4 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.3 t -136.34 136.49 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -73.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -128.53 157.21 41.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.437 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 16' ' ' THR . 6.6 mt-10 -100.57 161.33 13.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 15' ' ' GLU . 2.1 p -153.39 152.02 30.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -127.4 138.65 53.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.58 ' CG ' HG13 ' A' ' 100' ' ' VAL . 26.2 tt0 -94.46 117.95 30.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.543 HG13 ' SG ' ' A' ' 61' ' ' CYS . 98.8 t -102.79 120.84 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t -111.43 115.6 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -112.46 146.92 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.6 115.46 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.83 179.71 22.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.46 166.39 21.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.601 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.04 -22.86 14.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -90.94 -46.08 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.81 0.1 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.14 -118.92 4.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' HG11 ' A' ' 99' ' ' VAL . 10.7 m-85 -131.56 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.647 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.26 60.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.71 138.88 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -116.25 130.01 56.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 70' ' ' VAL . 48.1 mt -91.9 154.31 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 4.7 tt0 -127.97 113.71 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.73 -145.78 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.44 159.19 5.4 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.2 -47.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -76.46 129.13 36.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.56 -36.4 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -77.7 -167.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.88 115.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 m -54.63 159.88 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 83' ' ' MET . 83.0 mt -98.84 115.29 28.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -26.62 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.37 163.24 52.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.0 139.22 24.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.03 140.78 25.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.873 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -92.36 162.32 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 52' ' ' ILE . 41.1 t -71.92 91.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -54.14 -52.72 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.3 t80 -153.35 167.56 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 28.4 mt -137.0 143.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.4 mt-10 -76.72 142.76 70.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.2 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t0 64.58 12.7 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.67 178.22 2.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.01 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.456 1.766 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.11 -26.24 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.31 -43.3 13.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -52.01 -29.97 23.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.543 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -63.51 -29.17 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.51 -60.16 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -41.24 -42.13 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.29 144.88 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.7 161.02 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.6 t -53.88 136.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.49 -32.72 6.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.56 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.873 ' HG3' HD23 ' A' ' 48' ' ' LEU . 4.4 mpp_? -128.99 130.92 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 33' ' ' LEU . 45.1 t -100.3 107.38 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' HG3' ' A' ' 104' ' ' GLU . 24.7 mt -76.67 -58.88 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 6.4 p -139.84 157.75 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.853 HG23 HD23 ' A' ' 101' ' ' LEU . 52.5 mt -127.75 117.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.2 12.22 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 -3.32 42.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 72' ' ' SER . 16.9 mm -95.05 126.98 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.88 127.35 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.428 HG21 HG12 ' A' ' 70' ' ' VAL . 27.8 p -67.39 -24.2 65.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.15 -11.98 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -104.8 37.92 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.07 169.84 41.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.5 p -87.42 169.11 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.354 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.609 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.0 tpt -46.3 -46.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -56.02 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.0 -49.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.48 -59.19 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -54.25 -42.39 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -63.62 -42.56 98.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.66 -34.2 73.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 31' ' ' LEU . 4.6 mt -73.39 -25.55 60.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -70.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -44.31 -41.54 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -56.41 -47.53 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.8 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.0 mt -62.98 -13.82 39.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -97.05 -8.16 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 66.18 10.36 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.41 141.64 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.516 HG11 ' CE2' ' A' ' 29' ' ' PHE . 10.6 p -144.99 163.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.58 HG13 ' CG ' ' A' ' 18' ' ' GLU . 57.5 t -140.14 131.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.853 HD23 HG23 ' A' ' 73' ' ' ILE . 2.1 mt -126.95 151.59 48.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.34 113.4 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.69 149.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.646 ' HG3' HD11 ' A' ' 71' ' ' LEU . 3.1 tt0 -111.09 142.74 42.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -174.69 172.93 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -113.5 11.62 18.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t 57.54 86.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.98 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 170.36 157.63 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 145.87 31.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.772 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.6 p -161.13 -62.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 m 59.88 97.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p -90.15 113.81 25.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -119.4 95.48 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.15 124.9 7.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -130.63 86.01 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.14 -58.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.94 128.94 1.02 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.41 -147.92 7.6 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.72 84.73 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 70.34 158.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 110.278 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.0 mt 63.61 131.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.26 144.12 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.494 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 2.5 t60 -72.92 81.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.481 HG21 ' HG2' ' A' ' 104' ' ' GLU . 2.0 m 79.35 174.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -120.76 171.16 8.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -144.15 141.47 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 t -124.96 131.7 53.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.617 ' HG3' HG13 ' A' ' 100' ' ' VAL . 24.7 tt0 -103.37 114.96 29.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.2 136.4 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.18 104.99 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 58' ' ' ALA . 14.2 mt -98.89 150.37 21.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -131.91 148.48 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.96 -175.29 45.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.59 166.7 14.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.846 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -74.96 -16.64 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -101.19 -47.75 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -26.35 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.27 -118.85 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -140.46 -89.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.756 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.62 65.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -160.78 131.0 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -111.78 133.67 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.638 HD21 HG21 ' A' ' 70' ' ' VAL . 40.6 mt -93.19 163.47 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.4 tt0 -140.5 111.12 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.87 -160.2 8.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.83 167.72 33.66 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 38' ' ' PHE . 46.8 mm -72.15 -93.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.467 ' N ' HG22 ' A' ' 37' ' ' ILE . 43.9 m-85 -44.05 112.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -64.67 -59.69 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 3.9 p -51.73 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 42' ' ' THR . 1.1 pt-20 163.24 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.72 ' CA ' HG22 ' A' ' 82' ' ' THR . 2.4 m 86.47 139.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 79' ' ' GLU . 44.8 mt -79.83 126.09 30.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -22.3 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.75 164.38 44.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.02 135.15 18.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.99 157.77 42.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.885 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -105.77 171.53 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.724 HG11 HD11 ' A' ' 52' ' ' ILE . 17.9 t -81.38 88.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.51 -60.26 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.1 t80 -143.9 170.84 15.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.724 HD11 HG11 ' A' ' 49' ' ' VAL . 48.0 mt -143.31 145.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.9 OUTLIER -77.89 138.4 61.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.13 11.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.88 7.27 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -74.92 178.32 1.83 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -75.04 -41.54 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -62.07 -26.75 68.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -87.14 -34.29 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -61.4 -34.66 75.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.12 -28.56 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.59 -53.75 2.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.5 mt -39.21 -53.93 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 29.4 mt -61.5 153.52 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -179.24 163.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.58 121.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 115.37 -28.56 7.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 1.3 m-20 -47.93 173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.981 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.4 mpp_? -127.78 154.37 45.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.638 HG21 HD21 ' A' ' 33' ' ' LEU . 93.7 t -125.56 106.74 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 104' ' ' GLU . 29.1 mt -75.32 -58.99 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 p -138.31 165.72 26.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.844 HG22 ' OD1' ' A' ' 74' ' ' ASN . 32.9 mt -134.2 119.63 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.844 ' OD1' HG22 ' A' ' 73' ' ' ILE . 11.1 m120 66.17 11.33 7.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.15 12.55 31.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 3.5 mm -115.33 119.57 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 80' ' ' ASP . . . -67.79 123.75 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -62.43 -26.03 68.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.7 mp0 -74.93 -32.35 61.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -69.08 -22.08 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.51 -176.27 14.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.72 HG22 ' CA ' ' A' ' 42' ' ' THR . 13.3 p -99.04 177.37 5.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.56 -41.77 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -44.86 91.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.05 -60.32 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -51.02 -48.39 61.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.18 -45.95 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.63 -40.22 71.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 99' ' ' VAL . 1.5 mt -63.37 -41.18 98.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 95' ' ' LEU . 20.8 t0 -49.59 -46.55 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.553 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -49.24 -50.53 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.72 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.846 HD23 ' HB3' ' A' ' 25' ' ' PRO . 30.5 mt -62.17 -14.87 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -97.76 -5.39 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 65.91 10.75 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' CD ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.33 159.1 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.558 HG21 HD23 ' A' ' 90' ' ' LEU . 9.9 p -159.86 159.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.617 HG13 ' HG3' ' A' ' 18' ' ' GLU . 53.3 t -129.91 129.38 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.781 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.77 137.7 53.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -117.85 111.03 18.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.8 t -101.78 155.78 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.638 ' HB2' HD11 ' A' ' 71' ' ' LEU . 22.3 tt0 -119.52 138.37 53.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -176.52 159.85 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -86.94 112.05 21.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.38 83.77 3.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -133.01 -173.04 13.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 78.48 2.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.6 t -40.48 153.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.3 p -46.44 114.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.033 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.81 131.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.978 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.91 93.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.95 -172.74 43.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -44.79 163.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.784 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.13 116.71 13.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.36 -85.39 1.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.138 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.41 142.67 15.66 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.83 149.45 0.33 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -145.4 96.26 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.7 mt 63.55 149.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -135.32 93.13 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -127.88 158.93 36.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -88.85 152.26 21.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.4 p -147.96 136.34 21.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 t -111.4 133.97 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.715 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.1 tt0 -105.58 130.41 53.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.595 HG11 ' SG ' ' A' ' 61' ' ' CYS . 75.3 t -126.6 131.91 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.03 97.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 1.3 mp -85.6 148.9 25.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.13 107.87 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.9 -178.33 15.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -95.23 166.74 14.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.735 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.01 -44.44 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.33 -49.13 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -31.76 64.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 24' ' ' ASP . . . 74.97 -122.33 6.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 41.3 m-85 -130.69 -88.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.771 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 145.61 58.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD21 HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -149.2 145.01 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -124.12 129.21 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.619 HD11 HD11 ' A' ' 73' ' ' ILE . 26.5 mt -90.99 155.57 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -132.57 115.13 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.76 -141.41 3.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.33 167.18 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 mp -79.28 -49.45 19.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.78 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -77.1 165.18 24.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.11 -49.31 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 p -74.22 78.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.607 ' C ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -175.48 128.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.446 ' N ' HG22 ' A' ' 82' ' ' THR . 3.2 m -58.69 159.19 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.553 HD11 ' HA ' ' A' ' 83' ' ' MET . 94.4 mt -106.56 120.07 40.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -23.88 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.17 163.32 52.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.99 21.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.11 31.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.841 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -96.37 166.18 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.419 HG21 ' CD2' ' A' ' 64' ' ' LEU . 51.6 t -75.6 94.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.63 -55.69 26.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.7 t80 -148.87 171.04 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.602 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 9.8 mt -141.57 139.28 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -75.37 143.11 75.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.3 Cg_endo -75.03 141.35 26.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.09 15.45 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.53 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.56 179.76 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.53 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -52.1 -25.45 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 tp10 -91.99 -46.23 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -51.11 -29.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.595 ' SG ' HG11 ' A' ' 19' ' ' VAL . 4.3 t -63.0 -28.12 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 68.57 -58.98 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -51.54 -33.67 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.447 HD23 HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -83.57 131.28 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -161.11 159.73 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.62 130.71 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.26 -35.91 4.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.56 144.9 5.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.841 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -96.67 148.27 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 73' ' ' ILE . 30.9 t -121.25 98.45 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 104' ' ' GLU . 67.0 mt -67.08 -61.25 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.4 p -129.71 168.06 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.619 HD11 HD11 ' A' ' 33' ' ' LEU . 97.9 mt -137.64 112.31 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.419 ' OD1' ' HB2' ' A' ' 93' ' ' ALA . 0.1 OUTLIER 76.85 2.07 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 2.15 24.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.06 123.18 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.42 140.56 58.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -83.55 -33.79 25.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.41 -11.97 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -108.39 32.84 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -162.85 -169.27 26.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.607 HG22 ' C ' ' A' ' 41' ' ' GLU . 16.6 p -108.38 164.17 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.553 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.3 tpt -46.69 -63.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.9 -56.28 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.47 -45.04 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -60.15 -54.01 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -59.75 -39.64 85.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.16 -44.1 80.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.71 -38.23 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.618 HD11 HD21 ' A' ' 31' ' ' LEU . 6.8 mt -66.99 -33.96 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.7 OUTLIER -61.24 -68.9 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' HA ' HD12 ' A' ' 95' ' ' LEU . 16.9 t0 -43.48 -40.07 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -59.71 -47.14 86.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -57.02 -43.64 82.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 25' ' ' PRO . 19.0 mt -63.08 -15.79 57.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.62 -8.31 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 63.95 19.0 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.67 150.48 28.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.532 HG21 HD23 ' A' ' 90' ' ' LEU . 8.6 p -161.75 146.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.715 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.5 t -116.0 123.94 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.777 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.38 129.81 55.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.14 110.8 18.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -96.79 155.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.581 ' HB2' HD11 ' A' ' 71' ' ' LEU . 19.8 tt0 -114.13 140.17 48.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.1 p90 179.84 176.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.42 99.49 6.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.0 t -68.96 79.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -155.77 -144.57 3.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.5 38.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.5 p -139.98 172.68 12.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.79 -56.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.2 165.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -78.07 116.9 18.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.04 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.92 149.01 9.64 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -70.8 96.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -139.87 146.39 39.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.18 84.61 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.23 96.32 1.13 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.07 -93.4 0.96 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.67 102.95 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.8 132.81 43.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 12' ' ' VAL . 9.6 p -96.05 113.64 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -152.01 111.55 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 m 55.75 168.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 16' ' ' THR . 1.5 mp0 -91.16 171.18 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 15' ' ' GLU . 3.6 p -154.66 140.84 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -126.34 137.53 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 100' ' ' VAL . 30.7 tt0 -96.16 118.65 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG11 HD12 ' A' ' 64' ' ' LEU . 58.8 t -110.79 117.98 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 100' ' ' VAL . 77.8 t -103.64 104.43 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 47.8 mt -97.69 142.17 29.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.05 114.28 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.88 176.39 23.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.2 m-20 -82.14 161.37 60.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.936 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -74.93 -19.31 18.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.97 -51.49 7.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -17.29 47.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 75.51 -121.59 6.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 27.3 m-85 -130.81 4.82 4.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 56.29 57.03 21.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -148.49 151.07 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -131.62 129.17 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 71.6 mt -95.63 157.22 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 tt0 -133.92 113.82 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.01 -156.99 7.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.88 163.87 0.65 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.23 -48.87 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -71.88 95.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.34 -38.58 28.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.1 p -84.07 75.36 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.686 ' C ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -178.27 128.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.622 ' N ' HG22 ' A' ' 82' ' ' THR . 16.7 m -44.78 159.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.735 HD11 ' HA ' ' A' ' 83' ' ' MET . 34.7 mt -108.77 115.7 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -76.5 -23.99 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.62 162.83 55.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -74.98 140.44 25.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.04 140.94 25.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.535 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 1.4 mt -96.7 170.73 8.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 HD11 ' A' ' 52' ' ' ILE . 42.3 t -82.67 93.64 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.4 t -52.85 -54.35 35.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.8 t80 -151.76 170.67 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.689 HD11 HG11 ' A' ' 49' ' ' VAL . 97.5 mt -139.58 140.88 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.0 mt-10 -77.16 138.86 64.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 131.62 14.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 2.1 t70 72.07 9.08 6.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.47 179.19 1.98 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.99 -43.95 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -61.0 -23.85 65.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -90.45 -35.5 15.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.428 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -54.19 -32.5 55.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -64.05 -28.3 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.86 -58.59 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.723 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -47.33 -29.84 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.468 HD12 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -82.63 128.98 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.09 152.99 31.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 49' ' ' VAL . 18.3 t -45.15 135.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 112.04 -40.35 2.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 3.3 m-20 -40.8 139.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.38 129.5 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 54.8 t -97.25 114.74 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.655 HD11 ' HG3' ' A' ' 104' ' ' GLU . 17.3 mt -82.46 -56.62 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 p -137.82 171.38 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.774 HG21 ' CD2' ' A' ' 90' ' ' LEU . 90.6 mt -134.07 113.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 68.78 10.06 7.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.17 2.61 33.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 4.4 mm -100.26 128.1 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 125.49 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -73.19 -19.84 61.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.88 -18.04 54.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -99.38 25.0 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' THR . . . -158.18 -168.43 20.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.686 HG22 ' C ' ' A' ' 41' ' ' GLU . 17.4 p -105.92 159.62 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.735 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -44.5 -59.99 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -57.79 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.55 -55.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.88 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.07 -48.37 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -52.27 -35.47 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.32 -47.33 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.774 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -57.65 -33.81 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -67.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -52.85 -29.8 30.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.67 61.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.92 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.936 HD23 ' HB3' ' A' ' 25' ' ' PRO . 29.2 mt -66.57 -13.41 61.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.78 -19.93 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 79.43 12.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -152.66 141.73 21.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.58 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 9.3 p -153.18 137.71 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 20' ' ' VAL . 39.5 t -109.92 142.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 100' ' ' VAL . 2.6 mt -136.41 151.75 49.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.48 111.28 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.4 t -93.12 158.94 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.655 ' HG3' HD11 ' A' ' 71' ' ' LEU . 2.4 tt0 -123.34 135.33 54.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -174.75 -178.17 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -113.69 109.31 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.3 t -74.0 92.65 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.026 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -131.51 -171.33 12.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.5 t 57.06 104.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.7 t -39.75 121.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.95 150.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.988 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 p -165.64 159.38 16.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.99 116.63 1.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -164.86 149.93 9.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.92 142.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.83 -175.11 38.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.0 -127.13 8.79 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.37 -155.96 21.79 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 54.63 101.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -102.74 173.7 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.53 143.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -48.97 -58.43 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.584 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.567 HG21 ' HG2' ' A' ' 104' ' ' GLU . 61.5 m -63.44 172.46 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.442 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 14' ' ' THR . 66.2 mm-40 -105.96 178.47 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.0 OUTLIER -147.16 138.86 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.651 HG21 HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -125.01 135.23 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.655 ' HG3' HG13 ' A' ' 100' ' ' VAL . 18.7 tt0 -105.16 119.65 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.06 140.56 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -120.79 101.44 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' A' ' 58' ' ' ALA . 54.1 mt -93.05 144.48 25.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -129.08 112.84 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.19 15.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.57 163.14 21.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.756 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -14.78 21.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.46 -50.12 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.68 6.16 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 44.53 -125.69 6.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 30.6 m-85 -126.19 -86.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.732 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 148.3 69.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -164.57 141.28 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.75 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -117.96 131.4 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 73' ' ' ILE . 24.2 mt -93.94 153.67 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 3.9 tt0 -139.35 111.91 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' CA ' ' SD ' ' A' ' 83' ' ' MET . . . -156.68 139.53 6.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.71 -160.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.485 ' CG1' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -125.06 -77.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' N ' ' CG1' ' A' ' 37' ' ' ILE . 84.5 m-85 -51.6 127.63 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.15 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 -168.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 mt-10 77.72 -145.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -145.58 155.86 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 83' ' ' MET . 37.0 mt -94.0 114.17 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -82.34 -24.5 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.67 163.88 48.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.08 138.5 22.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.4 Cg_endo -75.0 138.52 23.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.514 HD21 ' CD ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -87.06 165.24 15.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.683 HG11 HD11 ' A' ' 52' ' ' ILE . 28.1 t -77.29 86.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 t -45.41 -62.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 10.2 t80 -138.89 170.46 15.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.683 HD11 HG11 ' A' ' 49' ' ' VAL . 7.2 mt -140.73 143.93 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.8 mt-10 -77.6 144.11 68.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.3 Cg_endo -75.01 132.62 15.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 63.16 13.73 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -75.47 175.55 4.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -40.53 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.42 -30.03 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.7 tp10 -88.89 -40.47 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -50.19 -41.09 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 24.9 m -63.54 -29.67 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 108.369 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 78.85 -47.33 3.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.651 HD12 HG21 ' A' ' 17' ' ' THR . 1.4 mm? -37.9 -58.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 20.8 mt -62.24 154.08 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 2.5 mt-30 -178.3 162.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.4 t -63.45 125.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 18.83 24.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 65' ' ' GLN . 4.5 m-20 -107.66 120.06 41.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' CD ' HD21 ' A' ' 48' ' ' LEU . 1.7 mtt180 -76.15 141.93 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 33' ' ' LEU . 28.2 t -109.17 99.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.477 HD11 ' CG ' ' A' ' 104' ' ' GLU . 55.5 mt -57.61 -61.61 2.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 p -134.08 166.69 22.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.496 HD11 HD11 ' A' ' 33' ' ' LEU . 73.0 mt -135.91 112.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' OD1' ' HB2' ' A' ' 93' ' ' ALA . 0.1 OUTLIER 76.64 1.83 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.2 -0.06 23.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 mm -104.26 127.03 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.6 128.01 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.9 p -68.18 -23.3 64.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 61.0 mt-10 -71.1 -14.69 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -108.38 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.76 -159.59 21.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 41' ' ' GLU . 1.4 p -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.702 ' HA ' HD11 ' A' ' 43' ' ' LEU . 9.5 tpt -64.38 -44.56 90.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -53.36 55.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -51.31 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.54 -44.33 56.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -69.92 -39.31 76.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -64.9 -40.5 95.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.0 mt -56.45 -35.42 67.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.834 HD23 HG21 ' A' ' 99' ' ' VAL . 3.8 mt -69.92 -33.79 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -61.7 -67.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -44.88 -42.14 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HB2' ' OD1' ' A' ' 74' ' ' ASN . . . -57.91 -41.81 83.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -58.37 -35.54 72.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.756 HD23 ' HB3' ' A' ' 25' ' ' PRO . 27.7 mt -70.31 -14.09 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.69 -20.15 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 79.4 6.01 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' HE2' HG23 ' A' ' 100' ' ' VAL . 4.7 tttt -153.13 137.99 17.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.834 HG21 HD23 ' A' ' 90' ' ' LEU . 10.9 p -141.1 143.27 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 18' ' ' GLU . 40.9 t -111.92 127.88 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.797 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.74 145.82 46.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -125.03 115.68 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 16' ' ' THR . 2.6 t -103.35 157.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.567 ' HG2' HG21 ' A' ' 14' ' ' THR . 7.4 tt0 -122.83 118.11 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 5.8 p90 -159.08 167.51 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -100.23 117.83 35.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 t -83.36 66.11 8.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -142.32 -170.29 12.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 150.26 37.79 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m 62.13 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 p -134.0 124.7 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.85 88.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.42 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.22 103.78 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -137.87 87.97 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -98.2 147.84 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.83 -128.43 1.52 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.16 -173.09 16.1 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.1 140.55 16.38 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.95 156.9 26.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.7 mt 63.5 151.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -166.32 151.56 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.59 113.85 26.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.486 HG21 ' CD ' ' A' ' 104' ' ' GLU . 2.6 m 66.48 169.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -114.2 147.91 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -132.98 136.8 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 t -115.42 141.18 48.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.638 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.3 tt0 -104.66 120.41 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.466 HG13 ' SG ' ' A' ' 61' ' ' CYS . 78.9 t -106.83 156.74 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.64 97.41 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -85.58 135.32 33.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -120.18 144.18 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.92 45.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 167.24 10.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.771 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.99 -13.38 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -104.97 -45.07 4.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -80.47 -8.17 59.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.4 -148.59 6.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 10.9 m-85 -108.34 -90.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.791 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 144.26 76.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD21 HD11 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -166.68 137.83 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -114.41 137.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 46.5 mt -107.44 150.67 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -127.51 113.88 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.241 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.89 -155.62 6.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.7 -178.17 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' PHE . 17.8 mm -94.53 -81.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' ILE . 93.9 m-85 -37.36 98.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.31 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.2 p -87.21 85.14 7.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.727 ' C ' HG22 ' A' ' 82' ' ' THR . 1.3 mm-40 -175.79 129.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 82' ' ' THR . 97.4 m -51.3 155.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 83' ' ' MET . 70.6 mt -104.2 110.96 23.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.7 p -73.22 -23.53 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.4 163.57 50.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.96 139.8 24.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.01 144.49 30.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.66 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -96.63 162.63 13.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 52' ' ' ILE . 10.1 t -79.05 82.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' VAL . 3.9 t -41.57 -61.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 3.8 t80 -146.7 167.14 24.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.643 HD11 HG11 ' A' ' 49' ' ' VAL . 77.2 mt -133.9 142.66 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.48 138.58 63.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.85 20.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.1 7.4 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.502 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -81.92 178.82 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -44.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -57.97 -28.36 64.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.21 -40.91 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -25.03 61.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.466 ' SG ' HG13 ' A' ' 19' ' ' VAL . 5.2 t -63.37 -27.07 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.38 -57.84 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -39.54 71.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 133.85 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -159.59 176.36 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.9 t -69.0 136.92 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 72.65 42.42 47.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.507 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -94.78 -12.69 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HA ' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.55 113.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.7 t -97.03 116.46 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.802 HD11 ' HG3' ' A' ' 104' ' ' GLU . 15.6 mt -81.17 -56.16 4.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -146.27 167.02 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.517 HG22 ' OD1' ' A' ' 74' ' ' ASN . 60.4 mt -135.9 112.99 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.676 HD21 ' HB2' ' A' ' 93' ' ' ALA . 0.9 OUTLIER 69.43 15.53 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.98 5.34 53.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.6 HG21 HD11 ' A' ' 89' ' ' LEU . 3.2 mm -101.1 113.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.8 113.55 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 p -59.16 -29.33 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.46 -12.41 61.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -110.7 27.93 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.17 -171.96 21.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.727 HG22 ' C ' ' A' ' 41' ' ' GLU . 9.2 p -107.32 155.36 20.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.541 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.4 tpt -40.38 -57.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -58.29 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.99 -47.11 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -55.81 -50.99 69.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.28 -46.16 84.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -59.48 -36.63 76.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.6 HD11 HG21 ' A' ' 76' ' ' ILE . 30.2 mt -61.2 -38.5 86.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.786 HD11 HD21 ' A' ' 31' ' ' LEU . 4.1 mt -68.58 -37.46 79.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 3.2 mtt180 -59.55 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 95' ' ' LEU . 7.7 t0 -45.16 -52.66 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.676 ' HB2' HD21 ' A' ' 74' ' ' ASN . . . -47.39 -45.4 25.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -54.49 -41.43 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.771 HD23 ' HB3' ' A' ' 25' ' ' PRO . 23.5 mt -62.92 -15.71 56.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.86 -6.67 38.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 67.54 9.33 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.548 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.56 152.41 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.71 HG21 HD23 ' A' ' 90' ' ' LEU . 7.0 p -157.1 143.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.815 ' C ' HD13 ' A' ' 101' ' ' LEU . 22.9 t -112.52 131.42 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.815 HD13 ' C ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -117.22 162.21 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -137.62 111.61 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -102.99 156.82 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.802 ' HG3' HD11 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -119.98 143.46 48.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.423 ' O ' HG22 ' A' ' 14' ' ' THR . 7.0 p90 -178.54 166.54 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -104.97 107.94 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.8 t -75.17 79.34 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.14 -147.82 18.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 136.08 19.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.773 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 t -179.27 93.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.2 p -94.74 -41.48 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -171.59 153.77 3.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.043 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -62.07 153.95 28.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.25 149.05 18.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -170.71 151.75 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -169.95 124.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.66 -90.76 1.01 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.02 -173.59 38.37 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.06 -153.61 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -138.18 82.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 11' ' ' ILE . 27.2 mm 64.03 139.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -125.33 136.42 60.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -66.37 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -127.9 156.82 42.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -88.78 149.8 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -131.79 134.96 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -125.16 144.37 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.766 ' HG3' HG13 ' A' ' 100' ' ' VAL . 25.9 tt0 -99.07 116.81 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.817 HG13 ' SG ' ' A' ' 61' ' ' CYS . 20.2 t -107.39 108.43 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -91.97 103.04 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HG ' HG12 ' A' ' 19' ' ' VAL . 55.2 mt -94.66 148.58 22.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.04 110.9 10.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.61 -179.71 16.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.19 166.51 17.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.545 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.5 Cg_endo -75.0 -19.91 17.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.18 -54.43 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -69.49 -11.75 61.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.91 -144.56 41.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.473 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 37.2 m-85 -102.41 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.649 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 144.36 69.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -167.13 138.29 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.1 mm-40 -105.03 157.59 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -121.8 142.36 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -119.72 119.33 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.52 -150.83 5.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.84 165.88 0.44 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -80.76 -49.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.06 153.32 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.02 14.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.5 p -98.3 66.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.25 127.46 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 43' ' ' LEU . 16.8 m -48.8 165.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 83' ' ' MET . 23.2 mt -114.65 108.45 16.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.57 -23.21 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 163.39 51.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.06 140.93 25.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 143.36 28.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.656 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -95.49 164.11 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 52' ' ' ILE . 18.1 t -79.75 78.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' VAL . 1.7 t -40.83 -60.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 19.0 t80 -141.23 165.93 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.725 HD11 HG11 ' A' ' 49' ' ' VAL . 50.6 mt -133.57 139.31 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 3.1 mt-10 -76.77 136.89 66.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.54 23.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 65.89 11.52 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -84.48 178.82 2.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.97 -45.19 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -55.76 -34.46 65.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -76.76 -43.57 36.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -50.87 -27.19 6.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.817 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -63.25 -29.31 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.266 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.34 -60.81 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.94 -20.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.91 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -85.04 141.59 30.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -164.3 178.57 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.3 t -66.32 133.71 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 78.24 44.91 10.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.611 ' O ' HG12 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -96.89 -13.09 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.62 112.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 53.1 t -95.91 117.02 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.751 HD11 ' CG ' ' A' ' 104' ' ' GLU . 19.1 mt -82.85 -56.45 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 p -141.38 155.89 45.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.044 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 72.4 mt -125.18 111.13 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER 75.6 5.28 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 -5.78 26.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 mm -94.83 121.72 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.84 123.82 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.0 p -67.24 -35.68 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.64 -20.17 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.37 47.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.19 172.67 43.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' GLU . 62.9 p -94.91 155.18 16.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 0.742 . . . . 0.0 110.358 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.465 ' HA ' HD11 ' A' ' 43' ' ' LEU . 8.2 tpt -41.44 -34.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -44.84 62.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' THR . 28.5 mt-10 -46.85 -46.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -56.03 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -55.95 -44.78 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -59.98 -51.79 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -48.65 -49.28 38.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 90' ' ' LEU . 6.9 mt -58.22 -38.94 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -66.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.81 -40.1 83.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.443 ' HB1' ' CG2' ' A' ' 99' ' ' VAL . . . -52.59 -41.14 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.545 HD23 ' CB ' ' A' ' 25' ' ' PRO . 42.0 mt -58.71 -16.88 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.15 -15.89 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.6 m170 69.04 7.86 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.61 140.38 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.534 HG13 ' CD2' ' A' ' 101' ' ' LEU . 9.8 p -153.23 146.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.766 HG13 ' HG3' ' A' ' 18' ' ' GLU . 5.8 t -106.61 116.21 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.534 ' CD2' HG13 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -103.78 131.44 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -111.11 111.16 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -96.86 160.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.751 ' CG ' HD11 ' A' ' 71' ' ' LEU . 3.4 tt0 -133.41 115.07 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -155.8 175.16 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 108' ' ' GLY . 56.9 m-20 -106.16 90.94 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.2 t -44.64 95.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' ASP . . . 155.92 173.83 25.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.13 29.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.2 p -170.22 130.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.09 85.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -174.29 141.77 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.008 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 p -170.09 148.46 3.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.71 173.28 42.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -164.74 135.4 4.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 110.002 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -165.16 129.89 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.31 -140.77 7.77 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.43 145.88 4.23 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.41 -139.96 3.92 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.28 131.73 3.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.5 tt -68.78 151.04 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.077 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.13 169.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -159.52 158.23 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.582 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.528 HG21 ' OE1' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -44.59 153.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.433 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -103.98 -172.89 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 2.5 p -148.74 142.94 26.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -133.7 129.93 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.561 ' CG ' HG13 ' A' ' 100' ' ' VAL . 37.8 tt0 -95.06 115.51 27.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.676 ' CG1' HD13 ' A' ' 21' ' ' LEU . 18.5 t -106.68 133.6 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -112.64 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.676 HD13 ' CG1' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -86.22 140.48 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.24 125.14 36.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.62 167.64 39.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.98 161.69 67.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.938 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.02 -16.67 20.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -55.8 5.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -78.65 -30.39 46.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 -120.32 6.33 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -138.84 14.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.722 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 47.01 57.12 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -149.19 145.35 27.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -125.59 125.91 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 70' ' ' VAL . 30.5 mt -91.27 155.69 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 2.3 tt0 -142.66 111.78 6.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.27 -152.75 7.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.55 -171.68 0.1 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt -93.19 -32.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.2 127.18 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . . . -85.47 -55.36 4.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -37.98 -31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' ALA . 2.0 mm-40 -88.2 141.56 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 43' ' ' LEU . 28.0 m -49.04 170.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 83' ' ' MET . 15.0 mt -108.56 110.0 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -24.61 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.1 p -134.53 158.31 75.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.59 29.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.02 140.6 25.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -96.15 166.84 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.498 HG11 ' CD1' ' A' ' 52' ' ' ILE . 24.6 t -76.75 87.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -48.28 -54.42 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.337 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.3 t80 -152.69 169.76 21.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.567 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.2 mt -139.4 140.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 2.3 mt-10 -78.76 142.72 61.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 138.41 22.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.21 9.93 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.524 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -86.91 179.58 1.73 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.31 -24.38 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.87 -40.67 11.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.01 -26.06 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.544 ' SG ' HG13 ' A' ' 19' ' ' VAL . 3.7 m -62.91 -27.46 69.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.18 -60.68 0.4 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.029 HD13 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.71 -29.17 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.029 ' N ' HD13 ' A' ' 63' ' ' LEU . 8.8 tp -71.2 130.49 41.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -154.5 164.93 37.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 49' ' ' VAL . 53.8 t -57.59 134.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.56 -24.9 14.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.616 ' OD2' HD12 ' A' ' 64' ' ' LEU . 16.8 m-20 -55.74 123.48 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.827 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -80.58 140.72 35.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 24.8 t -106.69 102.06 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 104' ' ' GLU . 13.1 mt -69.41 -60.5 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' HG23 ' A' ' 78' ' ' THR . 9.5 p -134.78 171.74 13.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.729 HG21 ' CD2' ' A' ' 90' ' ' LEU . 96.3 mt -134.29 111.63 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.11 6.87 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.42 -0.75 26.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 73' ' ' ILE . 5.6 mm -98.97 126.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.24 132.89 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.633 HG21 HG12 ' A' ' 70' ' ' VAL . 73.8 p -81.07 -30.83 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.365 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.59 -14.79 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.09 39.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.88 -165.44 31.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 39' ' ' ALA . 2.3 p -100.83 168.73 9.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 110.36 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.751 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.81 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -42.47 33.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -45.35 28.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.6 92.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -63.69 -54.09 41.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -47.4 -35.52 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.51 -51.81 63.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.729 ' CD2' HG21 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -53.4 -36.26 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.69 -71.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -46.29 -39.45 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.466 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -61.68 -42.42 98.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 25' ' ' PRO . . . -58.75 -34.67 71.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 25' ' ' PRO . 25.3 mt -73.76 -5.94 43.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.75 -14.67 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 71.72 11.84 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.569 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.41 150.29 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.466 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 11.0 p -160.35 145.78 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.693 ' C ' HD13 ' A' ' 101' ' ' LEU . 97.5 t -114.08 130.85 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.743 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -124.19 145.73 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.51 115.22 24.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 68' ' ' ASP . 1.5 t -106.56 141.89 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.757 ' HB2' HD11 ' A' ' 71' ' ' LEU . 2.3 tt0 -110.58 122.17 47.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 5.3 p90 -160.56 159.79 31.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.68 108.85 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -66.78 81.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.74 162.65 37.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 157.07 42.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.9 t 44.66 74.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.14 149.98 47.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -165.38 152.07 10.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.99 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.75 105.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.21 145.42 15.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.04 137.09 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -126.0 156.15 40.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.62 154.73 16.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.81 -123.64 1.92 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.42 147.19 7.25 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.14 164.63 32.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.33 141.37 15.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.7 143.84 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.21 110.86 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.626 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 105' ' ' PHE . 3.1 m 62.54 170.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.377 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.51 159.6 23.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.347 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -131.31 141.52 49.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -125.95 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.609 ' HG3' HG13 ' A' ' 100' ' ' VAL . 11.9 tt0 -100.84 121.0 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.606 HG11 HD12 ' A' ' 64' ' ' LEU . 66.4 t -112.43 124.09 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 100' ' ' VAL . 97.6 t -108.92 124.03 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 21.6 mt -114.93 155.77 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.0 t -135.54 151.58 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.98 -179.65 45.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 166.31 17.02 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.66 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.0 Cg_endo -75.01 -14.52 21.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -95.56 -55.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 m -72.89 -19.41 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.3 -116.13 7.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 14.5 m-85 -135.11 -88.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.574 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 146.45 66.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.864 HD21 HD11 ' A' ' 90' ' ' LEU . 1.3 pp -151.69 146.95 26.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 2.3 mm-40 -123.48 120.86 34.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.67 169.64 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.695 ' OE1' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -145.94 120.92 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.82 -158.32 9.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -37.47 151.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.76 -58.16 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -70.2 152.46 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.98 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -75.89 90.54 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.485 ' C ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER 179.69 116.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.742 ' N ' HG22 ' A' ' 82' ' ' THR . 40.6 m -47.71 149.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.71 HD11 ' HA ' ' A' ' 83' ' ' MET . 99.8 mt -102.06 115.55 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -19.66 53.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.55 164.2 45.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.1 Cg_endo -75.02 134.83 18.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.96 159.13 41.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.695 HD12 ' OE1' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -119.43 172.2 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 66' ' ' VAL . 41.1 t -86.1 136.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.416 ' C ' ' HB ' ' A' ' 66' ' ' VAL . 14.2 t -101.26 -32.54 10.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 108.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -162.46 159.06 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.0 mt -132.31 122.66 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.72 140.97 85.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.86 27.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.43 13.54 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -86.8 179.1 1.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.97 -39.22 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -65.43 -29.45 70.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.12 -41.62 25.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -51.64 -27.51 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.9 m -63.58 -28.33 69.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.69 -56.03 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -62.9 -34.05 76.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.624 HD22 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -67.39 135.2 52.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 52' ' ' ILE . 3.0 pt20 -178.29 146.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.556 ' HA ' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -36.22 147.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.2 13.73 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 37.8 m-20 -112.93 121.41 44.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.78 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.8 mtp180 -67.78 164.6 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 70' ' ' VAL . 10.8 t -139.31 78.79 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 104' ' ' GLU . 22.1 mt -39.11 -67.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -128.17 169.55 14.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.492 HD11 HG11 ' A' ' 70' ' ' VAL . 94.5 mt -135.77 110.64 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER 75.64 4.22 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 -1.75 24.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -99.51 128.96 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.13 124.82 27.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 p -74.52 -19.56 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.92 -16.16 59.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -107.33 30.83 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.56 -175.49 27.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.742 HG22 ' N ' ' A' ' 42' ' ' THR . 12.2 p -100.77 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 0.807 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.71 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -46.1 -59.79 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.25 -55.81 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.63 -55.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.98 -49.02 42.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -63.92 -39.75 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.5 -44.51 90.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.4 mt -52.73 -39.62 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.864 HD11 HD21 ' A' ' 31' ' ' LEU . 4.7 mt -65.95 -28.45 68.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -60.37 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -53.62 -31.67 48.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.521 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -66.8 -42.46 85.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.83 78.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 25' ' ' PRO . 33.2 mt -59.82 -16.06 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.48 -6.91 39.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 17.3 m-70 67.8 7.68 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -154.37 162.17 41.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 90' ' ' LEU . 9.0 p -160.66 167.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 20' ' ' VAL . 79.9 t -138.26 141.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -130.51 149.48 52.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -125.76 114.56 18.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 69' ' ' ARG . 2.3 t -103.73 148.38 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.812 ' HB2' HD11 ' A' ' 71' ' ' LEU . 11.7 tt0 -119.54 124.67 46.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.516 ' O ' HG22 ' A' ' 14' ' ' THR . 2.3 p90 -154.08 -176.71 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -119.4 11.83 12.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 59.49 84.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -175.51 162.03 31.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.61 16.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 89.0 p -134.12 167.76 20.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 m -149.16 158.74 44.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.051 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 62.88 125.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 p -137.41 159.1 42.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.7 101.86 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -155.36 162.06 40.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -95.55 163.09 13.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.971 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.7 -91.04 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.53 -176.35 41.72 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.94 -128.38 3.59 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -163.32 156.32 18.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 pp -122.47 156.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.74 137.39 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -45.83 -57.3 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.604 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 15' ' ' GLU . 5.9 m -84.72 172.2 11.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' H ' HG22 ' A' ' 14' ' ' THR . 16.7 mp0 -99.88 153.72 18.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -136.59 141.32 43.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 105' ' ' PHE . 1.2 t -122.17 127.22 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.714 ' HG3' HG13 ' A' ' 100' ' ' VAL . 26.3 tt0 -103.55 122.73 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.597 HG11 ' SG ' ' A' ' 61' ' ' CYS . 81.5 t -122.55 133.62 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -100.94 97.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.42 148.53 23.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.52 108.39 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.243 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.35 -179.68 16.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -94.63 158.5 35.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.919 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.0 -14.73 21.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -53.01 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.61 -122.59 6.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 90' ' ' LEU . 28.8 m-85 -130.55 11.4 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 46.54 59.53 5.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -158.05 140.54 14.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -113.53 128.1 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 76.5 mt -101.88 131.2 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -105.35 123.37 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.21 -169.32 12.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -39.09 147.76 0.13 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.94 -45.73 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.05 111.28 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.24 -40.97 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.0 p -69.91 -166.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' C ' HG22 ' A' ' 82' ' ' THR . 1.8 mm-40 64.37 127.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -51.39 155.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' A' ' 83' ' ' MET . 12.9 mt -91.54 107.12 18.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -25.35 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 163.66 49.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.76 30.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 142.93 28.46 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -106.43 159.44 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 64' ' ' LEU . 31.2 t -71.66 138.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.61 -47.89 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -145.03 157.22 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' A' ' 64' ' ' LEU . 11.2 mt -134.64 126.57 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.52 146.01 99.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.24 21.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.95 12.4 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.67 -179.89 1.67 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -56.13 -23.27 33.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 9.9 tp10 -91.96 -43.51 9.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.37 -35.29 37.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' HG11 ' A' ' 19' ' ' VAL . 1.3 t -63.6 -28.57 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.11 -59.71 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.26 -41.95 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 49' ' ' VAL . 1.7 tt -68.99 131.38 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.91 168.94 25.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 49' ' ' VAL . 72.3 t -61.99 131.29 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.73 -29.14 9.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.26 174.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.971 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.5 mpp_? -123.32 160.78 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.686 HG11 HD11 ' A' ' 73' ' ' ILE . 54.0 t -135.43 95.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 104' ' ' GLU . 25.2 mt -67.28 -60.15 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 p -130.82 161.42 31.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.026 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.686 HD11 HG11 ' A' ' 70' ' ' VAL . 93.3 mt -133.58 113.62 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.757 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.3 t-20 71.79 8.28 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.27 5.64 34.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.1 mm -107.6 120.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.15 125.29 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.504 HG21 HG12 ' A' ' 70' ' ' VAL . 23.0 p -65.65 -28.33 69.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.33 -12.48 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -105.53 36.79 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.67 165.69 37.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 41' ' ' GLU . 67.9 p -87.4 159.98 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.599 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.12 -59.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -48.13 -52.74 19.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.32 -40.11 11.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -64.18 -50.0 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -61.9 -35.44 78.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -71.22 -45.17 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.83 -27.99 46.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 29' ' ' PHE . 6.3 mt -78.18 -33.78 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.438 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -59.94 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.46 ' HA ' HD12 ' A' ' 95' ' ' LEU . 11.2 t70 -51.31 -41.8 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.757 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -64.82 -29.14 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -73.64 -30.14 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.919 HD23 ' HB3' ' A' ' 25' ' ' PRO . 20.5 mt -75.86 -6.8 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.23 -17.54 16.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 74.28 8.3 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -153.35 137.89 16.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.653 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 12.8 p -149.77 156.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.714 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.0 t -112.96 127.88 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.738 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.5 OUTLIER -115.01 134.75 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.07 110.94 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.971 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.1 t -105.87 146.29 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.669 ' HB2' HD11 ' A' ' 71' ' ' LEU . 2.0 tt0 -114.62 129.28 56.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.489 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 1.8 p90 -155.13 172.12 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -106.03 12.41 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 t 53.75 85.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -138.32 170.63 23.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 79.54 2.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 94.6 p -39.97 99.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.6 t 64.35 79.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.545 ' O ' HG23 ' A' ' 16' ' ' THR . 1.5 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' GLU . 13.2 p -157.07 161.06 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.637 HG21 HD11 ' A' ' 63' ' ' LEU . 5.2 t -135.67 135.92 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.752 ' HG3' HG13 ' A' ' 100' ' ' VAL . 29.8 tt0 -95.58 117.14 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.598 ' O ' HD22 ' A' ' 101' ' ' LEU . 50.9 t -103.05 110.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 100' ' ' VAL . 62.6 t -95.82 112.09 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.538 ' HB2' HG12 ' A' ' 99' ' ' VAL . 15.9 mt -109.21 148.87 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -133.85 146.03 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 108.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 97' ' ' HIS . . . 178.32 177.6 47.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -89.43 165.4 25.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.822 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.5 Cg_endo -74.93 -16.05 20.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.059 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.08 -55.9 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -12.93 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.29 -127.38 42.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.442 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 11.3 m-85 -123.9 -88.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.644 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 147.45 69.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -163.84 145.55 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -121.68 134.1 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.43 153.5 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.1 tt0 -128.33 123.28 33.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.29 -152.92 6.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.53 158.13 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -70.63 -48.24 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.1 153.47 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.0 -52.61 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.9 p -68.31 77.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.93 137.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -59.78 163.19 4.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 83' ' ' MET . 77.6 mt -112.01 118.83 36.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.6 m -78.36 -24.44 46.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.34 163.34 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.03 138.43 22.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.0 145.78 31.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.764 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.77 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -97.1 166.03 11.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.803 HG11 HD11 ' A' ' 52' ' ' ILE . 23.9 t -73.65 82.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -42.15 -57.89 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 8.5 t80 -150.98 167.76 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.803 HD11 HG11 ' A' ' 49' ' ' VAL . 42.7 mt -136.63 145.56 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.5 mt-10 -81.79 138.28 46.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.77 14.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.8 11.82 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -82.76 178.06 2.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.1 Cg_endo -75.03 -39.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -63.7 -28.77 70.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -81.88 -38.04 25.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -54.4 -29.67 49.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 108.307 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.82 -59.89 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.637 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -44.03 -36.55 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.2 144.06 38.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 13.9 pt20 -170.83 164.44 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.04 131.98 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.42 -36.54 4.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 11.2 m-20 -46.62 170.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.947 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -123.08 156.3 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.26 93.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 104' ' ' GLU . 38.3 mt -62.74 -62.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.9 p -134.36 169.16 17.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.698 HG22 ' OD1' ' A' ' 74' ' ' ASN . 67.5 mt -133.74 111.65 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.698 ' OD1' HG22 ' A' ' 73' ' ' ILE . 0.9 OUTLIER 68.73 12.02 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.3 -1.46 32.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.88 116.71 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.78 136.9 56.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.6 p -82.93 -28.66 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.0 -18.93 61.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -103.97 33.03 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.13 -172.45 25.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.2 p -108.55 151.17 26.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.73 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.51 -58.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -47.72 -57.17 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -43.71 -48.19 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.62 -50.96 68.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.445 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.7 m-20 -62.77 -46.48 87.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -60.01 -39.86 87.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.09 -28.83 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.774 HD23 HG21 ' A' ' 99' ' ' VAL . 4.3 mt -78.05 -29.14 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -58.11 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -52.3 -39.97 61.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.704 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -60.93 -44.26 97.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.12 76.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.822 HD23 ' HB3' ' A' ' 25' ' ' PRO . 52.7 mt -61.34 -16.41 45.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -93.62 -13.8 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 6.6 m170 74.19 7.98 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.471 ' CE ' HG13 ' A' ' 20' ' ' VAL . 4.2 tttt -153.31 148.81 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.774 HG21 HD23 ' A' ' 90' ' ' LEU . 4.8 p -149.93 156.31 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.752 HG13 ' HG3' ' A' ' 18' ' ' GLU . 6.5 t -132.86 123.72 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.647 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -114.89 148.88 38.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.69 117.15 27.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -102.08 152.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.603 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.2 tt0 -110.44 145.41 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 25.8 p90 178.44 163.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -138.15 155.75 48.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -133.52 152.14 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.679 ' HG3' HG13 ' A' ' 100' ' ' VAL . 12.7 tt0 -114.93 117.79 31.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.57 127.87 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 100' ' ' VAL . 69.5 t -107.12 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.559 HD12 HD22 ' A' ' 31' ' ' LEU . 14.0 mt -99.84 141.63 32.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.7 148.44 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.284 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.84 178.51 46.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.49 165.41 38.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.958 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.0 -14.93 20.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.52 -49.25 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -76.37 -31.66 58.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.25 -126.19 7.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.616 ' CD2' HG11 ' A' ' 99' ' ' VAL . 11.8 m-85 -135.43 12.56 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 51.1 55.1 20.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.706 HD21 ' CD1' ' A' ' 90' ' ' LEU . 0.7 OUTLIER -149.48 142.25 24.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 0.794 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -124.87 135.76 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.85 158.61 15.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.0 114.53 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.75 -147.32 4.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.29 177.91 0.43 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.0 mm -86.19 -48.38 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -83.41 114.92 21.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.37 -46.14 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -67.14 -167.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 67.71 127.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.3 m -52.43 157.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD11 ' HA ' ' A' ' 83' ' ' MET . 21.3 mt -99.33 115.09 28.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -73.45 -28.14 61.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.5 162.83 55.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.5 Cg_endo -74.93 142.94 28.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 147.92 34.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.873 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -103.63 167.75 9.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.573 HG11 ' CD1' ' A' ' 52' ' ' ILE . 40.7 t -75.56 99.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.3 -53.11 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.339 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 24.9 t80 -151.2 169.35 22.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.575 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 27.1 mt -142.04 141.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -78.93 143.56 62.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 131.27 14.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.69 9.21 7.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -76.4 178.62 1.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.96 -39.41 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.868 ' HB1' HD23 ' A' ' 64' ' ' LEU . . . -63.64 -25.43 68.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 6.1 tm-20 -90.19 -36.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -37.18 70.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.1 m -63.49 -28.33 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.256 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.11 -54.94 2.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLY . 8.1 mt -40.02 -57.1 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.868 HD23 ' HB1' ' A' ' 58' ' ' ALA . 13.7 tp -57.89 139.19 54.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -170.33 151.06 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.8 t -47.74 127.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.36 -39.44 2.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -45.12 166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.932 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -118.36 158.05 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -130.2 94.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 104' ' ' GLU . 35.9 mt -60.49 -62.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 p -128.78 169.88 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.815 HG21 ' CD2' ' A' ' 90' ' ' LEU . 92.6 mt -130.84 110.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.65 7.34 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.88 -0.32 25.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.616 HG21 HD11 ' A' ' 89' ' ' LEU . 3.5 mm -98.64 120.27 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 122.7 19.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 71' ' ' LEU . 25.1 p -69.51 -26.57 64.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.06 -15.66 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -100.91 40.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.07 -170.82 42.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.0 p -103.69 160.46 14.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.431 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.742 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.9 -58.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -42.49 -58.56 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -38.35 -51.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.14 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 14.9 m-20 -62.92 -55.87 22.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -46.09 -34.21 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 76' ' ' ILE . 23.9 mt -66.54 -49.48 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.815 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -55.13 -36.11 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.94 -68.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -49.7 -36.03 23.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -66.06 -37.88 86.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.958 HD23 ' HB3' ' A' ' 25' ' ' PRO . 53.8 mt -66.37 -16.88 64.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.92 40.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.3 m170 67.88 11.36 8.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.62 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.27 153.21 32.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.616 HG11 ' CD2' ' A' ' 29' ' ' PHE . 12.3 p -161.48 144.15 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.679 HG13 ' HG3' ' A' ' 18' ' ' GLU . 63.6 t -114.19 133.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.31 145.08 47.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 111.64 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -99.77 155.4 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.683 ' HB2' HD11 ' A' ' 71' ' ' LEU . 3.9 tt0 -121.35 136.81 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -169.58 179.8 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 16' ' ' THR . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' GLU . 1.9 p -152.9 134.2 14.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 t -114.97 131.95 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.518 ' CG ' HG13 ' A' ' 100' ' ' VAL . 18.7 tt0 -98.42 118.24 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.586 ' O ' HD22 ' A' ' 101' ' ' LEU . 51.5 t -107.1 134.92 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -115.02 107.12 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 21.7 mt -101.5 147.33 26.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.77 145.78 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.15 -172.77 42.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.38 166.39 13.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.718 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.01 -16.64 20.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.87 -47.63 5.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -82.22 -1.47 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.16 -117.97 3.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.44 -89.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.64 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 151.33 56.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -150.69 141.4 22.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -119.38 130.04 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.6 mt -88.11 156.66 19.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.0 tt0 -141.38 109.54 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -127.56 -155.86 8.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . -134.71 -175.23 13.77 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 36' ' ' GLY . 1.2 mp 59.01 156.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -43.28 150.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.75 -38.5 7.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 1.2 t -106.13 99.47 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.71 ' C ' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER 166.74 137.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.617 ' N ' HG22 ' A' ' 82' ' ' THR . 50.9 m -42.88 151.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 83' ' ' MET . 62.2 mt -104.56 126.69 51.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.1 p -76.84 -27.88 55.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.493 ' CA ' ' OE1' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -134.62 163.33 51.99 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.98 139.54 24.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.01 147.45 33.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.699 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -107.65 171.03 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.559 HG21 HD21 ' A' ' 64' ' ' LEU . 37.6 t -75.57 98.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.58 -52.06 67.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.4 t80 -149.6 169.82 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 81.1 mt -139.31 141.6 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.44 138.08 51.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.83 14.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.61 11.76 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -85.34 178.05 2.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.97 -40.34 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -63.31 -22.77 67.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -88.62 -38.15 15.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.44 -24.84 65.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.57 -28.09 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 -57.77 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.559 HD21 HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -72.58 134.51 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.443 ' HA ' HD12 ' A' ' 52' ' ' ILE . 26.4 pt20 -167.31 154.77 8.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 55.7 t -45.27 130.98 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.75 -33.12 5.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -53.59 132.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.945 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.7 mtp180 -85.41 163.66 18.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.41 88.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 104' ' ' GLU . 50.7 mt -58.11 -59.41 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 11.1 p -130.83 164.82 24.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 67.3 mt -134.78 111.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.549 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.3 t-20 76.47 2.06 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.06 -3.52 20.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.518 ' HB ' HD13 ' A' ' 89' ' ' LEU . 12.5 mm -98.35 126.38 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.51 126.24 30.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 71' ' ' LEU . 20.5 p -71.24 -30.73 66.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' OE1' ' CA ' ' A' ' 45' ' ' SER . 4.3 mm-40 -66.69 -21.17 66.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.62 17.93 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.44 -170.1 12.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.71 HG22 ' C ' ' A' ' 41' ' ' GLU . 8.1 p -112.41 152.01 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.504 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.26 -58.24 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -57.01 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -43.85 -51.94 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.59 -47.01 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.436 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 18.0 m-20 -64.18 -49.25 72.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.45 -40.93 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.518 HD13 ' HB ' ' A' ' 76' ' ' ILE . 37.2 mt -56.94 -33.77 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.863 HD23 HG21 ' A' ' 99' ' ' VAL . 2.6 mt -72.99 -36.18 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 2.5 mtt-85 -61.88 -61.09 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -49.45 -52.28 30.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.674 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -48.39 -47.97 37.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -53.78 -44.54 70.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.718 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.2 mt -60.95 -17.23 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.08 -13.72 24.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 m170 74.95 10.77 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 147.64 25.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.863 HG21 HD23 ' A' ' 90' ' ' LEU . 7.9 p -151.72 148.07 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.734 ' C ' HD13 ' A' ' 101' ' ' LEU . 87.8 t -121.15 133.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.734 HD13 ' C ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -125.87 153.47 44.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.56 116.31 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.945 HG13 ' O ' ' A' ' 69' ' ' ARG . 2.0 t -99.35 158.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 71' ' ' LEU . 19.9 tt0 -119.42 132.14 55.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 6.5 p90 -173.85 169.99 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 2.4 p -135.89 157.02 47.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.403 HG22 ' HB ' ' A' ' 103' ' ' VAL . 6.7 t -133.42 142.53 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.717 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.0 tt0 -106.98 116.53 32.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.616 HG13 ' SG ' ' A' ' 61' ' ' CYS . 66.1 t -108.26 132.7 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 t -108.93 101.53 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.513 HD12 ' CD2' ' A' ' 31' ' ' LEU . 10.7 mt -95.37 150.21 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -135.23 145.32 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.3 37.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.75 167.07 12.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.488 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.81 -47.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.55 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.11 -152.11 46.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -103.33 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.739 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.99 58.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 90' ' ' LEU . 1.5 pp -155.72 133.18 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' CYS . 3.0 mm-40 -109.43 126.65 53.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 70' ' ' VAL . 73.6 mt -89.57 147.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.843 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.8 tt0 -129.98 122.12 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.36 153.73 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . 41.95 94.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' GLY . 5.8 mt -39.48 -39.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -92.94 168.04 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.34 -57.81 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 41.2 p -67.26 91.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER 166.12 145.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.6 m -66.64 155.42 37.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.803 HD11 ' HA ' ' A' ' 83' ' ' MET . 25.3 mt -102.38 109.95 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' OE1' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -72.4 -23.49 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 p -134.52 163.53 50.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -75.0 141.23 26.39 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.888 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -94.63 169.83 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 52' ' ' ILE . 20.0 t -83.24 85.72 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -46.1 -59.6 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 20.2 t80 -144.12 170.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 49' ' ' VAL . 7.5 mt -141.45 138.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -72.05 139.98 82.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.07 17.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.41 13.04 8.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.69 178.62 2.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -38.67 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -65.3 -25.19 67.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -85.8 -41.47 15.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -53.75 -26.51 23.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 19' ' ' VAL . 1.2 m -63.29 -28.34 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 -57.84 0.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.38 -31.51 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -83.47 133.17 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 52' ' ' ILE . 6.6 mt-30 -164.42 175.56 9.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.97 131.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.06 -42.86 1.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.66 150.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.991 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.6 mpp_? -106.63 161.35 14.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.444 HG21 HD21 ' A' ' 33' ' ' LEU . 91.7 t -134.18 88.65 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' A' ' 104' ' ' GLU . 52.3 mt -55.13 -57.93 9.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 62.6 p -132.11 167.36 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.764 HG21 ' CD2' ' A' ' 90' ' ' LEU . 95.7 mt -130.82 110.89 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.99 8.2 6.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.96 0.88 27.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.446 HG21 HD11 ' A' ' 89' ' ' LEU . 5.8 mm -98.92 118.43 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.78 118.06 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.3 p -66.65 -23.79 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 44' ' ' SER . 2.8 mm-40 -72.35 -24.68 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -97.3 16.27 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.39 -178.22 19.01 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.3 p -99.78 157.18 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.803 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.97 -58.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -48.92 -56.01 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -37.92 -55.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.34 -47.67 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' LEU . 19.6 m-80 -65.48 -61.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -41.36 -35.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 76' ' ' ILE . 28.8 mt -63.74 -49.06 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.764 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -56.46 -28.38 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -62.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.66 -28.43 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HB1' HG23 ' A' ' 99' ' ' VAL . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.24 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.488 HD23 ' CB ' ' A' ' 25' ' ' PRO . 64.5 mt -60.7 -15.55 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.5 -9.93 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.1 m170 68.21 8.29 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -153.87 158.51 40.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.472 HG13 HD21 ' A' ' 101' ' ' LEU . 9.9 p -161.84 164.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.717 HG13 ' HG3' ' A' ' 18' ' ' GLU . 39.8 t -132.47 120.24 41.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.796 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -110.11 133.61 53.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -110.99 110.93 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.991 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.8 t -98.03 156.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.65 ' CG ' HD11 ' A' ' 71' ' ' LEU . 4.9 tt0 -124.79 129.98 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -161.3 166.75 27.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.7 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -140.62 143.11 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -123.81 142.26 51.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.645 ' HG3' HG13 ' A' ' 100' ' ' VAL . 19.5 tt0 -109.0 121.49 45.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.578 ' O ' HD22 ' A' ' 101' ' ' LEU . 66.8 t -114.31 131.87 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG22 HG22 ' A' ' 100' ' ' VAL . 76.8 t -112.3 109.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 58' ' ' ALA . 71.5 mt -100.53 141.66 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 113.1 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.3 170.16 32.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 50.4 m-20 -81.09 155.77 72.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.969 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -33.46 4.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.02 -56.46 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -85.17 -25.46 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 88.69 -125.16 7.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -127.06 -85.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.89 59.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.653 HD11 HD11 ' A' ' 90' ' ' LEU . 1.9 pp -155.24 130.66 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -111.12 127.56 55.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.793 HD21 HG21 ' A' ' 70' ' ' VAL . 27.9 mt -88.49 160.5 17.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.67 112.55 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.36 -148.23 4.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.65 177.42 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 mp -89.86 -45.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -82.65 118.61 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -44.57 -44.8 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -70.57 -168.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' THR . 2.2 mt-10 67.18 108.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.574 ' N ' HG22 ' A' ' 82' ' ' THR . 17.1 m -39.1 158.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.851 HD11 ' HA ' ' A' ' 83' ' ' MET . 65.2 mt -100.58 117.37 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -79.18 -22.51 44.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 p -134.27 157.65 77.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.6 Cg_endo -74.99 138.01 22.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.02 139.91 24.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.836 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -91.61 165.38 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 52' ' ' ILE . 79.0 t -74.55 96.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 t -57.0 -55.98 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.1 t80 -147.95 168.85 21.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.606 HD11 HG11 ' A' ' 49' ' ' VAL . 79.1 mt -137.24 143.16 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -76.31 140.53 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 125.27 9.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.61 20.02 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.498 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.88 177.64 2.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.051 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.92 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.962 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -60.16 -34.61 73.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLY . 4.6 tp10 -78.18 -41.97 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -50.54 -36.06 32.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.417 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 14.8 m -63.27 -28.34 69.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 76.55 -53.84 3.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -43.26 -39.62 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.962 HD13 ' HB1' ' A' ' 58' ' ' ALA . 2.2 tt -71.94 132.35 44.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 8.1 pt20 -162.27 154.77 19.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.17 136.11 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.9 -35.23 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 52.5 m-20 -45.47 140.85 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.836 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.29 134.39 40.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.793 HG21 HD21 ' A' ' 33' ' ' LEU . 69.1 t -103.62 102.68 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' A' ' 104' ' ' GLU . 28.1 mt -72.01 -60.04 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 p -133.41 164.57 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 33' ' ' LEU . 96.7 mt -135.01 112.31 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.561 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.4 t-20 74.03 8.8 4.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.3 5.14 34.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.456 HG21 HD11 ' A' ' 89' ' ' LEU . 3.4 mm -107.71 120.23 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.42 121.39 19.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.9 p -61.65 -32.11 72.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.11 -15.5 62.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.97 32.35 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.11 -174.18 37.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 42' ' ' THR . 79.4 p -102.14 156.63 17.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.851 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.95 -58.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -47.76 -59.89 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.22 -46.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -57.96 -51.81 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.439 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.5 m-80 -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -61.88 -40.22 94.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 76' ' ' ILE . 25.7 mt -58.27 -34.54 70.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.735 HD23 HG21 ' A' ' 99' ' ' VAL . 3.0 mt -70.85 -35.05 72.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -58.1 -65.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -48.39 -48.58 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -52.33 -49.06 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 25' ' ' PRO . . . -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.969 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.8 mt -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -90.6 -9.84 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 66.67 15.34 10.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -153.13 142.17 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.735 HG21 HD23 ' A' ' 90' ' ' LEU . 6.3 p -150.82 147.7 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 18' ' ' GLU . 73.7 t -119.26 126.79 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.77 144.9 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.56 112.24 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.69 145.17 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.729 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.8 tt0 -109.08 142.19 40.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -179.19 165.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' THR . 1.8 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 15' ' ' GLU . 3.6 p -157.61 140.54 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -125.97 133.94 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' CG ' HG13 ' A' ' 100' ' ' VAL . 33.4 tt0 -90.52 116.44 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.73 HG11 HD22 ' A' ' 64' ' ' LEU . 69.1 t -103.69 106.31 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.655 HG22 HG22 ' A' ' 100' ' ' VAL . 42.2 t -99.08 112.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -110.98 150.66 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 m -129.98 112.59 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.84 169.24 26.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.93 162.54 57.02 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.83 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.0 -14.16 21.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -53.92 4.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.1 p -78.09 -25.09 47.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.06 -125.79 7.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 31.7 m-85 -131.16 11.19 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 48.61 50.07 25.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.714 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -147.43 142.37 26.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -119.18 145.76 45.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD21 HG21 ' A' ' 70' ' ' VAL . 39.4 mt -105.5 141.42 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.497 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.5 tt0 -113.7 125.28 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.75 -148.87 5.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.21 155.95 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.62 -48.85 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.11 163.1 27.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' ' 84' ' ' GLU . . . -91.59 -49.31 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.2 p -74.77 90.71 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.48 136.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -69.8 158.07 36.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 83' ' ' MET . 31.2 mt -101.2 111.16 23.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 p -76.29 -25.12 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.3 163.47 50.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.5 Cg_endo -74.93 140.85 26.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 158.97 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -113.38 162.63 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 52' ' ' ILE . 25.3 t -65.93 82.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 5.5 t -43.49 -60.49 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.598 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 37.0 t80 -143.56 171.39 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.598 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.1 mt -140.7 140.32 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.28 142.38 35.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 142.7 27.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.771 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.32 15.51 5.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -91.11 178.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.714 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -64.8 -25.9 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.0 tp10 -91.92 -38.32 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -33.79 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.53 69.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.078 . . . . 0.0 108.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 69.77 -58.28 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -49.32 -42.97 43.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.73 HD22 HG11 ' A' ' 19' ' ' VAL . 6.9 tp -64.81 130.22 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -160.3 156.17 25.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -42.84 132.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.97 -40.56 2.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.643 ' OD2' HD12 ' A' ' 64' ' ' LEU . 2.4 m-20 -46.57 128.95 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.904 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -83.18 170.13 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.453 HG12 HG21 ' A' ' 78' ' ' THR . 91.2 t -138.75 88.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.552 HD11 ' HG3' ' A' ' 104' ' ' GLU . 43.4 mt -56.05 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.0 p -132.29 165.47 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.709 HG21 ' CD2' ' A' ' 90' ' ' LEU . 89.4 mt -124.1 110.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.1 6.23 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.93 4.9 25.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.9 mm -106.62 120.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.45 133.93 56.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.453 HG21 HG12 ' A' ' 70' ' ' VAL . 47.0 p -78.18 -13.3 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 40.9 mt-10 -84.86 -14.82 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.29 19.94 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.89 155.47 26.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 85' ' ' GLU . 82.3 p -71.8 166.85 21.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.46 ' HA ' HD11 ' A' ' 43' ' ' LEU . 8.8 tpt -49.21 -22.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG3' ' HB1' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -85.82 -29.28 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -62.86 -47.67 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.68 76.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.03 -52.81 57.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -47.85 -33.82 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 89' ' ' LEU . 15.4 mt -65.7 -50.77 63.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.709 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -55.03 -36.69 65.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.614 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -55.96 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -49.23 -46.42 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.17 -30.08 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -68.41 -33.57 74.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' A' ' 25' ' ' PRO . 66.2 mt -70.66 -14.87 62.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.38 -14.96 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.5 m170 73.83 9.4 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.89 144.31 23.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 13.1 p -150.8 148.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.655 HG22 HG22 ' A' ' 20' ' ' VAL . 45.4 t -121.36 141.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mt -133.31 151.78 51.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.81 111.61 15.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.9 t -93.17 160.27 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.552 ' HG3' HD11 ' A' ' 71' ' ' LEU . 5.6 tt0 -123.06 132.75 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 6.9 p90 -176.57 170.52 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 16' ' ' THR . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' GLU . 2.7 p -154.91 147.71 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -119.73 136.0 54.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.581 ' HG3' HG13 ' A' ' 100' ' ' VAL . 17.4 tt0 -103.5 119.05 38.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG1' ' SG ' ' A' ' 61' ' ' CYS . 86.5 t -106.74 158.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.7 t -130.01 97.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.641 HD21 ' CB ' ' A' ' 58' ' ' ALA . 1.0 OUTLIER -88.73 133.21 34.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -119.73 145.2 46.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 108.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.35 178.03 48.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.52 167.17 17.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -74.95 -14.47 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -105.15 -44.79 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -74.34 -16.22 60.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.53 -141.86 48.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -117.92 -90.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.853 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.17 66.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.69 135.4 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -117.21 132.73 56.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 70' ' ' VAL . 22.5 mt -95.83 160.17 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -137.07 112.05 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.43 -143.08 3.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.68 179.74 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mm -99.52 -56.68 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -64.6 125.44 24.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.67 -43.51 36.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -72.7 -168.62 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 68.03 116.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -55.53 161.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 83' ' ' MET . 72.5 mt -93.86 123.11 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -26.19 32.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.36 163.32 52.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.01 138.08 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.02 150.76 38.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -99.09 161.75 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 52' ' ' ILE . 40.7 t -72.71 86.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 t -47.11 -56.98 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.3 t80 -149.7 168.61 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 8.3 mt -138.76 140.21 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.06 138.42 72.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.6 19.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 68.85 9.0 7.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.0 178.44 2.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -59.38 -24.47 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.3 -42.07 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -54.96 -23.22 18.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 8.3 t -63.33 -27.88 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.08 -58.61 0.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -50.15 -40.65 47.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.34 159.09 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 171.81 158.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.4 133.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.44 -41.38 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.55 159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.753 ' HG3' HD23 ' A' ' 48' ' ' LEU . 1.3 mpp_? -117.27 118.29 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 55.9 t -86.07 112.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 104' ' ' GLU . 20.0 mt -79.41 -57.22 3.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.1 p -136.89 167.18 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.573 HD11 HD11 ' A' ' 33' ' ' LEU . 69.1 mt -135.55 112.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.4 t-20 74.9 8.66 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.63 -0.68 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.1 mm -102.18 127.67 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.62 131.65 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 p -68.96 -27.15 65.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -67.09 -13.82 62.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.81 32.18 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.77 165.22 38.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.2 p -88.64 160.35 17.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.465 ' HA ' HD11 ' A' ' 43' ' ' LEU . 6.6 tpt -43.31 -42.47 4.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.2 -40.74 78.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -53.45 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.77 -40.82 80.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -67.41 -45.16 76.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.3 mt -52.46 -32.07 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.655 ' CD2' HG21 ' A' ' 99' ' ' VAL . 6.6 mt -76.58 -37.61 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -62.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.587 ' HA ' HD12 ' A' ' 95' ' ' LEU . 27.4 t70 -53.35 -38.54 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -60.99 -45.8 93.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.45 -35.62 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 92' ' ' ASP . 16.9 mt -70.0 -18.67 63.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -86.38 -9.76 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 70.16 7.34 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.579 ' NZ ' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -153.47 156.22 37.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.655 HG21 ' CD2' ' A' ' 90' ' ' LEU . 10.9 p -156.24 149.65 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.581 HG13 ' HG3' ' A' ' 18' ' ' GLU . 72.7 t -116.89 125.9 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.794 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.9 141.57 47.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.09 112.76 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.9 t -100.22 151.5 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.676 ' HB2' HD11 ' A' ' 71' ' ' LEU . 35.6 tt0 -110.57 145.54 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.1 p90 178.39 158.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.475 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -127.49 131.83 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.596 ' CG ' HG13 ' A' ' 100' ' ' VAL . 31.3 tt0 -97.91 114.15 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.797 ' CG1' HD13 ' A' ' 21' ' ' LEU . 3.3 t -103.69 132.49 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.46 97.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.797 HD13 ' CG1' ' A' ' 19' ' ' VAL . 2.0 mp -90.66 132.35 35.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -121.65 152.55 39.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 -167.04 37.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 166.89 10.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -101.03 -51.16 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -72.33 -30.46 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.7 -141.09 26.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 94' ' ' ALA . 12.3 m-85 -117.57 -92.58 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.815 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 147.21 64.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.088 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.868 HD21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -155.18 137.95 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -120.1 124.94 47.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 70' ' ' VAL . 25.4 mt -86.81 160.69 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -140.85 111.4 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.06 -156.84 7.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -43.85 142.32 2.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.16 -38.32 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -87.46 153.05 21.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.82 -36.84 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.0 p -82.74 80.36 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.79 123.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 82' ' ' THR . 48.6 m -46.06 157.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.792 HD11 ' HA ' ' A' ' 83' ' ' MET . 24.0 mt -102.98 119.15 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -88.87 -18.64 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.8 p -134.41 157.03 78.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -75.03 136.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.01 146.47 32.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -95.43 166.86 11.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG11 ' CD1' ' A' ' 52' ' ' ILE . 24.7 t -75.45 87.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 t -46.7 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 5.8 t80 -145.66 167.92 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.587 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 13.7 mt -137.43 146.45 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.65 139.31 35.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.406 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.3 Cg_endo -74.98 132.58 15.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 2.4 t0 74.81 6.31 4.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.51 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.02 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -57.5 -23.51 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -87.11 -43.15 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -55.27 -18.23 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.788 ' SG ' HG13 ' A' ' 19' ' ' VAL . 15.9 m -62.96 -25.81 68.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.32 -61.07 0.6 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.009 HD13 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.82 -27.62 66.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.009 ' N ' HD13 ' A' ' 63' ' ' LEU . 3.8 tp -72.3 136.76 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -167.89 150.32 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 10.4 t -43.4 128.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.39 35.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 3.2 m-20 -74.57 129.31 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.732 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -80.71 169.14 18.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.553 HG21 HD21 ' A' ' 33' ' ' LEU . 90.1 t -139.44 88.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.562 HD11 ' CG ' ' A' ' 104' ' ' GLU . 53.7 mt -54.09 -63.7 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 p -127.64 167.6 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 33' ' ' LEU . 96.7 mt -134.56 111.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.45 ' ND2' HG23 ' A' ' 99' ' ' VAL . 1.0 OUTLIER 75.55 3.18 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -1.1 23.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.7 mm -104.54 126.27 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.763 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.54 130.46 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 50.1 p -72.54 -14.75 61.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -84.01 -19.64 34.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -94.07 43.02 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.15 -171.09 40.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 42' ' ' THR . 28.6 p -102.1 159.72 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.792 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -42.75 -64.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -45.0 -58.96 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -38.99 -45.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -58.2 -49.09 78.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' GLU . 13.1 m-80 -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 tp60 -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 89' ' ' LEU . 11.8 mt -49.05 -32.25 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.868 HD11 HD21 ' A' ' 31' ' ' LEU . 3.1 mt -74.23 -37.27 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -56.5 -59.07 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.08 -41.35 83.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.546 ' O ' ' HB3' ' A' ' 96' ' ' ALA . . . -57.13 -50.01 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -51.62 -40.55 60.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 86.9 mt -62.2 -21.3 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -81.11 -20.87 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 96' ' ' ALA . 2.3 m170 85.25 -4.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.563 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 152.06 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.481 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 8.2 p -156.42 151.61 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.596 HG13 ' CG ' ' A' ' 18' ' ' GLU . 98.9 t -113.71 129.83 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.43 ' CD2' HG12 ' A' ' 73' ' ' ILE . 54.2 mt -117.72 143.96 45.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -122.61 113.77 19.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 69' ' ' ARG . 5.5 t -101.68 161.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.562 ' CG ' HD11 ' A' ' 71' ' ' LEU . 6.6 tt0 -132.44 112.86 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.473 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 2.6 p90 -146.12 167.55 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.4 mp0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -143.5 151.92 40.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.8 t -126.69 150.34 49.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.633 ' HG3' HG13 ' A' ' 100' ' ' VAL . 7.1 tt0 -112.8 117.69 32.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.482 ' O ' HD22 ' A' ' 101' ' ' LEU . 59.6 t -105.22 129.5 57.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 100' ' ' VAL . 85.4 t -114.37 120.61 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 58' ' ' ALA . 77.4 mt -117.04 144.9 44.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.74 112.94 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.07 -174.95 17.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.69 164.3 19.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.998 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -74.97 -22.21 15.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -54.86 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -74.46 -7.89 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.87 -138.73 44.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 10.9 m-85 -115.75 -87.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.694 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.45 66.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 2.6 pp -161.12 134.51 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -113.31 131.88 55.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.825 HD21 HG21 ' A' ' 70' ' ' VAL . 39.8 mt -93.95 159.26 15.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 tt0 -139.86 114.88 9.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.87 6.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.5 157.3 0.48 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mt -67.18 -51.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -82.81 136.37 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -80.2 -44.4 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.4 p -68.47 78.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.47 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -57.1 160.84 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.774 HD11 ' HA ' ' A' ' 83' ' ' MET . 45.2 mt -109.02 119.49 39.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -25.78 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.434 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 1.5 p -134.37 161.7 62.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -74.97 139.94 24.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.02 139.38 24.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.808 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -91.21 164.46 13.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 52' ' ' ILE . 27.0 t -75.15 95.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.47 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 108.281 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 6.1 t80 -153.01 167.33 29.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 17.4 mt -136.83 147.18 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.0 OUTLIER -79.06 138.39 56.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.4 Cg_endo -74.95 122.26 7.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 76.34 17.18 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -83.22 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.029 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.95 -43.15 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.993 ' HB1' HD22 ' A' ' 64' ' ' LEU . . . -58.91 -31.75 68.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 10.3 tp10 -83.08 -37.98 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -53.0 -39.13 62.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 m -63.07 -29.17 70.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 108.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.96 -53.07 2.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' GLY . 5.9 mt -38.1 -52.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.993 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.1 tp -67.31 143.14 56.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 2.0 mt-30 -168.34 163.42 12.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.65 129.92 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.5 -30.13 9.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.64 173.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.808 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -128.15 122.16 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.825 HG21 HD21 ' A' ' 33' ' ' LEU . 69.4 t -91.24 113.5 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 104' ' ' GLU . 19.3 mt -80.15 -54.92 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.6 p -142.38 167.42 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.779 HG21 ' CD2' ' A' ' 90' ' ' LEU . 63.5 mt -129.52 111.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 68.33 13.43 9.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.0 4.23 41.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 89' ' ' LEU . 3.2 mm -99.98 111.43 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 115.08 5.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 p -61.46 -16.46 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 45' ' ' SER . 3.7 mm-40 -82.01 -16.52 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -102.57 24.73 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.22 -162.21 11.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 p -112.82 154.41 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.774 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.32 -61.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.555 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -44.11 -56.0 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.91 -55.4 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.14 -49.19 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.452 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.5 m-80 -63.6 -50.24 70.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -50.59 -34.6 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.566 HD11 HG21 ' A' ' 76' ' ' ILE . 17.0 mt -64.18 -48.14 77.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.779 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -56.81 -28.73 61.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -55.4 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.614 ' HA ' HD12 ' A' ' 95' ' ' LEU . 1.6 t0 -60.22 -37.76 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.591 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -60.19 -37.21 79.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.998 HD23 ' HB3' ' A' ' 25' ' ' PRO . 14.3 mt -65.42 -12.98 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.5 -10.71 23.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 67.68 9.55 7.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.629 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 140.33 19.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.591 HG23 ' CB ' ' A' ' 93' ' ' ALA . 9.2 p -143.62 161.57 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.4 t -134.57 123.94 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -112.74 153.26 28.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -127.95 112.61 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.98 151.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.595 ' HB2' HD11 ' A' ' 71' ' ' LEU . 3.1 tt0 -114.18 144.17 43.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -175.71 159.44 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.05 145.42 47.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -127.56 137.91 52.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.624 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.4 tt0 -103.69 116.26 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.453 HG12 HD23 ' A' ' 101' ' ' LEU . 52.3 t -101.13 137.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.95 109.26 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HB2' HG12 ' A' ' 99' ' ' VAL . 43.7 mt -105.5 144.94 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.92 113.17 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.74 -177.99 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.33 166.57 22.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.553 0.796 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.852 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.05 -24.31 12.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.36 -47.34 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 t -76.6 -3.05 35.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.14 -116.92 4.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.486 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 20.3 m-85 -136.66 -87.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.63 64.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -161.82 132.47 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.3 137.88 47.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 70' ' ' VAL . 45.7 mt -99.63 151.72 20.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.654 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.7 tt0 -128.22 122.6 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.16 -150.73 5.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.38 162.56 6.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.4 -47.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -74.91 94.17 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -42.01 -57.62 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -63.54 82.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.564 ' C ' HG22 ' A' ' 82' ' ' THR . 1.2 mm-40 175.31 130.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.466 ' N ' HG22 ' A' ' 82' ' ' THR . 23.0 m -52.89 158.48 1.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.769 HD11 ' HA ' ' A' ' 83' ' ' MET . 80.3 mt -109.98 113.44 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 m -70.69 -25.61 63.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.65 163.52 50.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.04 140.9 25.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.99 139.04 23.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.443 1.759 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.818 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -90.0 163.72 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 52' ' ' ILE . 44.8 t -75.02 91.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -50.56 -61.08 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.9 t80 -145.38 169.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.826 HD11 HG11 ' A' ' 49' ' ' VAL . 94.7 mt -139.12 144.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -77.07 137.44 65.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.2 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 4.2 t0 76.73 12.22 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.64 178.02 2.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.93 -44.19 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -55.86 -37.05 68.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -78.81 -36.84 42.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -54.46 -38.72 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.66 -28.84 70.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.33 -52.36 3.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -44.49 -35.91 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.24 127.84 32.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 6.8 mt-30 -156.39 165.72 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.46 135.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.33 -31.76 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 48.9 m-20 -46.22 139.03 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.818 ' HG3' HD23 ' A' ' 48' ' ' LEU . 1.5 mpp_? -98.04 124.86 42.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 33' ' ' LEU . 24.3 t -94.95 111.12 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 104' ' ' GLU . 31.2 mt -78.88 -57.56 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 25.1 p -135.07 168.3 19.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.767 HG22 ' OD1' ' A' ' 74' ' ' ASN . 72.2 mt -139.8 113.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.811 HD21 HG23 ' A' ' 99' ' ' VAL . 1.8 m120 75.91 2.82 3.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.4 -2.38 23.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 13.0 mm -101.16 128.95 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.7 131.0 40.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.407 HG21 HG12 ' A' ' 70' ' ' VAL . 38.7 p -70.18 -33.99 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.27 -15.33 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -106.83 38.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.51 -169.62 33.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.564 HG22 ' C ' ' A' ' 41' ' ' GLU . 23.5 p -108.13 152.08 25.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.769 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.92 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.509 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -47.08 -60.69 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -38.78 -48.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -56.05 -51.59 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.422 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 23.8 m-20 -62.38 -46.24 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -58.32 -44.28 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 86' ' ' ALA . 19.8 mt -53.73 -34.71 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.668 ' CD2' HG21 ' A' ' 99' ' ' VAL . 3.3 mt -72.14 -30.72 65.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -58.93 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.66 -46.87 86.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.57 -45.29 26.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.79 90.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.852 HD23 ' HB3' ' A' ' 25' ' ' PRO . 85.8 mt -62.5 -14.7 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.16 -7.84 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 66.29 12.35 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.643 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.23 143.65 22.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.811 HG23 HD21 ' A' ' 74' ' ' ASN . 7.8 p -145.18 148.57 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.624 HG13 ' HG3' ' A' ' 18' ' ' GLU . 78.5 t -119.62 124.49 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.784 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -118.43 137.28 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.5 113.38 21.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.61 150.64 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.804 ' HB2' HD11 ' A' ' 71' ' ' LEU . 8.4 tt0 -112.9 143.25 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.3 p90 179.59 168.23 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 16' ' ' THR . 6.6 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 15' ' ' GLU . 2.1 p -153.39 152.02 30.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -127.4 138.65 53.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.58 ' CG ' HG13 ' A' ' 100' ' ' VAL . 26.2 tt0 -94.46 117.95 30.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.543 HG13 ' SG ' ' A' ' 61' ' ' CYS . 98.8 t -102.79 120.84 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t -111.43 115.6 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -112.46 146.92 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.6 115.46 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.83 179.71 22.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.46 166.39 21.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.601 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.04 -22.86 14.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -90.94 -46.08 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.81 0.1 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.14 -118.92 4.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' HG11 ' A' ' 99' ' ' VAL . 10.7 m-85 -131.56 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.647 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.26 60.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.71 138.88 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -116.25 130.01 56.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 70' ' ' VAL . 48.1 mt -91.9 154.31 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 4.7 tt0 -127.97 113.71 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.73 -145.78 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.44 159.19 5.4 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.2 -47.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -76.46 129.13 36.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.56 -36.4 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -77.7 -167.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.88 115.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 m -54.63 159.88 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 83' ' ' MET . 83.0 mt -98.84 115.29 28.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -26.62 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.37 163.24 52.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.0 139.22 24.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.03 140.78 25.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.873 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -92.36 162.32 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 52' ' ' ILE . 41.1 t -71.92 91.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -54.14 -52.72 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.3 t80 -153.35 167.56 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 28.4 mt -137.0 143.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.4 mt-10 -76.72 142.76 70.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.2 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t0 64.58 12.7 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.67 178.22 2.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.01 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.456 1.766 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.11 -26.24 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.31 -43.3 13.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -52.01 -29.97 23.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.543 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -63.51 -29.17 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.51 -60.16 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -41.24 -42.13 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.29 144.88 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.7 161.02 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.6 t -53.88 136.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.49 -32.72 6.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.56 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.873 ' HG3' HD23 ' A' ' 48' ' ' LEU . 4.4 mpp_? -128.99 130.92 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 33' ' ' LEU . 45.1 t -100.3 107.38 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' HG3' ' A' ' 104' ' ' GLU . 24.7 mt -76.67 -58.88 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 6.4 p -139.84 157.75 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.853 HG23 HD23 ' A' ' 101' ' ' LEU . 52.5 mt -127.75 117.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.2 12.22 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 -3.32 42.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 72' ' ' SER . 16.9 mm -95.05 126.98 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.88 127.35 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.428 HG21 HG12 ' A' ' 70' ' ' VAL . 27.8 p -67.39 -24.2 65.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.15 -11.98 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -104.8 37.92 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.07 169.84 41.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.5 p -87.42 169.11 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.354 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.609 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.0 tpt -46.3 -46.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -56.02 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.0 -49.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.48 -59.19 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -54.25 -42.39 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -63.62 -42.56 98.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.66 -34.2 73.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 31' ' ' LEU . 4.6 mt -73.39 -25.55 60.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -70.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -44.31 -41.54 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -56.41 -47.53 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.8 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.0 mt -62.98 -13.82 39.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -97.05 -8.16 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 66.18 10.36 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.41 141.64 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.516 HG11 ' CE2' ' A' ' 29' ' ' PHE . 10.6 p -144.99 163.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.58 HG13 ' CG ' ' A' ' 18' ' ' GLU . 57.5 t -140.14 131.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.853 HD23 HG23 ' A' ' 73' ' ' ILE . 2.1 mt -126.95 151.59 48.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.34 113.4 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.69 149.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.646 ' HG3' HD11 ' A' ' 71' ' ' LEU . 3.1 tt0 -111.09 142.74 42.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -174.69 172.93 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -144.15 141.47 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 t -124.96 131.7 53.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.617 ' HG3' HG13 ' A' ' 100' ' ' VAL . 24.7 tt0 -103.37 114.96 29.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.2 136.4 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.18 104.99 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 58' ' ' ALA . 14.2 mt -98.89 150.37 21.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -131.91 148.48 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.96 -175.29 45.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.59 166.7 14.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.846 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -74.96 -16.64 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -101.19 -47.75 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -26.35 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.27 -118.85 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -140.46 -89.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.756 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.62 65.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -160.78 131.0 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -111.78 133.67 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.638 HD21 HG21 ' A' ' 70' ' ' VAL . 40.6 mt -93.19 163.47 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 tt0 -140.5 111.12 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.87 -160.2 8.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.83 167.72 33.66 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 38' ' ' PHE . 46.8 mm -72.15 -93.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.467 ' N ' HG22 ' A' ' 37' ' ' ILE . 43.9 m-85 -44.05 112.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -64.67 -59.69 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 3.9 p -51.73 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 42' ' ' THR . 1.1 pt-20 163.24 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.72 ' CA ' HG22 ' A' ' 82' ' ' THR . 2.4 m 86.47 139.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 79' ' ' GLU . 44.8 mt -79.83 126.09 30.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -22.3 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.75 164.38 44.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.02 135.15 18.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.99 157.77 42.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.885 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -105.77 171.53 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.724 HG11 HD11 ' A' ' 52' ' ' ILE . 17.9 t -81.38 88.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.51 -60.26 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.1 t80 -143.9 170.84 15.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.724 HD11 HG11 ' A' ' 49' ' ' VAL . 48.0 mt -143.31 145.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.9 OUTLIER -77.89 138.4 61.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.13 11.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.88 7.27 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -74.92 178.32 1.83 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -75.04 -41.54 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -62.07 -26.75 68.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -87.14 -34.29 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -61.4 -34.66 75.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.12 -28.56 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.59 -53.75 2.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.5 mt -39.21 -53.93 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 29.4 mt -61.5 153.52 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -179.24 163.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.58 121.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 115.37 -28.56 7.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 1.3 m-20 -47.93 173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.981 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.4 mpp_? -127.78 154.37 45.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.638 HG21 HD21 ' A' ' 33' ' ' LEU . 93.7 t -125.56 106.74 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 104' ' ' GLU . 29.1 mt -75.32 -58.99 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 p -138.31 165.72 26.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.844 HG22 ' OD1' ' A' ' 74' ' ' ASN . 32.9 mt -134.2 119.63 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.844 ' OD1' HG22 ' A' ' 73' ' ' ILE . 11.1 m120 66.17 11.33 7.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.15 12.55 31.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 3.5 mm -115.33 119.57 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 80' ' ' ASP . . . -67.79 123.75 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -62.43 -26.03 68.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.7 mp0 -74.93 -32.35 61.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -69.08 -22.08 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.51 -176.27 14.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.72 HG22 ' CA ' ' A' ' 42' ' ' THR . 13.3 p -99.04 177.37 5.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.456 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -52.31 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.56 -41.77 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -44.86 91.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.05 -60.32 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.456 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 17.9 m-80 -51.02 -48.39 61.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.18 -45.95 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.63 -40.22 71.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 99' ' ' VAL . 1.5 mt -63.37 -41.18 98.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 95' ' ' LEU . 20.8 t0 -49.59 -46.55 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.553 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -49.24 -50.53 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.72 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.846 HD23 ' HB3' ' A' ' 25' ' ' PRO . 30.5 mt -62.17 -14.87 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -97.76 -5.39 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 65.91 10.75 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' CD ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.33 159.1 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.558 HG21 HD23 ' A' ' 90' ' ' LEU . 9.9 p -159.86 159.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.617 HG13 ' HG3' ' A' ' 18' ' ' GLU . 53.3 t -129.91 129.38 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.781 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.77 137.7 53.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -117.85 111.03 18.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.8 t -101.78 155.78 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.638 ' HB2' HD11 ' A' ' 71' ' ' LEU . 22.3 tt0 -119.52 138.37 53.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -176.52 159.85 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.4 p -147.96 136.34 21.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 t -111.4 133.97 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.715 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.1 tt0 -105.58 130.41 53.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.595 HG11 ' SG ' ' A' ' 61' ' ' CYS . 75.3 t -126.6 131.91 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.03 97.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 1.3 mp -85.6 148.9 25.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.13 107.87 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.9 -178.33 15.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -95.23 166.74 14.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.735 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.01 -44.44 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.33 -49.13 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -31.76 64.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 24' ' ' ASP . . . 74.97 -122.33 6.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.443 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 41.3 m-85 -130.69 -88.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.771 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 145.61 58.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD21 HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -149.2 145.01 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -124.12 129.21 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.619 HD11 HD11 ' A' ' 73' ' ' ILE . 26.5 mt -90.99 155.57 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -132.57 115.13 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.76 -141.41 3.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.33 167.18 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 mp -79.28 -49.45 19.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.78 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -77.1 165.18 24.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.11 -49.31 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 p -74.22 78.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.607 ' C ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -175.48 128.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.446 ' N ' HG22 ' A' ' 82' ' ' THR . 3.2 m -58.69 159.19 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.553 HD11 ' HA ' ' A' ' 83' ' ' MET . 94.4 mt -106.56 120.07 40.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -23.88 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.17 163.32 52.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.99 21.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.11 31.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.841 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -96.37 166.18 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.419 HG21 ' CD2' ' A' ' 64' ' ' LEU . 51.6 t -75.6 94.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.63 -55.69 26.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.7 t80 -148.87 171.04 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.602 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 9.8 mt -141.57 139.28 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -75.37 143.11 75.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.3 Cg_endo -75.03 141.35 26.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.09 15.45 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.53 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.56 179.76 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.53 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -52.1 -25.45 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 tp10 -91.99 -46.23 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -51.11 -29.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.595 ' SG ' HG11 ' A' ' 19' ' ' VAL . 4.3 t -63.0 -28.12 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 68.57 -58.98 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -51.54 -33.67 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -83.57 131.28 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -161.11 159.73 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.62 130.71 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.26 -35.91 4.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.56 144.9 5.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.841 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -96.67 148.27 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 73' ' ' ILE . 30.9 t -121.25 98.45 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 104' ' ' GLU . 67.0 mt -67.08 -61.25 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.4 p -129.71 168.06 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.619 HD11 HD11 ' A' ' 33' ' ' LEU . 97.9 mt -137.64 112.31 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.593 HD22 ' HB2' ' A' ' 93' ' ' ALA . 1.2 t-20 76.85 2.07 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 2.15 24.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.06 123.18 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.42 140.56 58.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -83.55 -33.79 25.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.41 -11.97 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -108.39 32.84 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -162.85 -169.27 26.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.607 HG22 ' C ' ' A' ' 41' ' ' GLU . 16.6 p -108.38 164.17 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.553 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.3 tpt -46.69 -63.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.9 -56.28 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.47 -45.04 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -60.15 -54.01 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -59.75 -39.64 85.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.16 -44.1 80.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.71 -38.23 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.618 HD11 HD21 ' A' ' 31' ' ' LEU . 6.8 mt -66.99 -33.96 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.7 OUTLIER -61.24 -68.9 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.441 ' HA ' HD12 ' A' ' 95' ' ' LEU . 16.9 t0 -43.48 -40.07 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HB2' HD22 ' A' ' 74' ' ' ASN . . . -59.71 -47.14 86.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -57.02 -43.64 82.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 25' ' ' PRO . 19.0 mt -63.08 -15.79 57.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.62 -8.31 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 63.95 19.0 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.67 150.48 28.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.532 HG21 HD23 ' A' ' 90' ' ' LEU . 8.6 p -161.75 146.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.715 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.5 t -116.0 123.94 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.777 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.38 129.81 55.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.14 110.8 18.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -96.79 155.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.581 ' HB2' HD11 ' A' ' 71' ' ' LEU . 19.8 tt0 -114.13 140.17 48.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.1 p90 179.84 176.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 16' ' ' THR . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 15' ' ' GLU . 3.6 p -154.66 140.84 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -126.34 137.53 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 100' ' ' VAL . 30.7 tt0 -96.16 118.65 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG11 HD12 ' A' ' 64' ' ' LEU . 58.8 t -110.79 117.98 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 100' ' ' VAL . 77.8 t -103.64 104.43 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 47.8 mt -97.69 142.17 29.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.05 114.28 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.88 176.39 23.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.2 m-20 -82.14 161.37 60.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.936 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -74.93 -19.31 18.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.97 -51.49 7.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -17.29 47.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 75.51 -121.59 6.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 27.3 m-85 -130.81 4.82 4.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 56.29 57.03 21.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -148.49 151.07 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -131.62 129.17 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 71.6 mt -95.63 157.22 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 tt0 -133.92 113.82 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.01 -156.99 7.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.88 163.87 0.65 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.23 -48.87 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -71.88 95.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.34 -38.58 28.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.1 p -84.07 75.36 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.686 ' C ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -178.27 128.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.622 ' N ' HG22 ' A' ' 82' ' ' THR . 16.7 m -44.78 159.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.735 HD11 ' HA ' ' A' ' 83' ' ' MET . 34.7 mt -108.77 115.7 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -76.5 -23.99 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.62 162.83 55.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -74.98 140.44 25.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.04 140.94 25.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.535 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 1.4 mt -96.7 170.73 8.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 HD11 ' A' ' 52' ' ' ILE . 42.3 t -82.67 93.64 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.4 t -52.85 -54.35 35.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.8 t80 -151.76 170.67 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.689 HD11 HG11 ' A' ' 49' ' ' VAL . 97.5 mt -139.58 140.88 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.0 mt-10 -77.16 138.86 64.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 131.62 14.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 2.1 t70 72.07 9.08 6.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.47 179.19 1.98 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.99 -43.95 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -61.0 -23.85 65.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -90.45 -35.5 15.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.428 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -54.19 -32.5 55.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -64.05 -28.3 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.86 -58.59 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.723 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -47.33 -29.84 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.468 HD12 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -82.63 128.98 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.09 152.99 31.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 49' ' ' VAL . 18.3 t -45.15 135.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.444 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 112.04 -40.35 2.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 3.3 m-20 -40.8 139.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.38 129.5 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 54.8 t -97.25 114.74 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.655 HD11 ' HG3' ' A' ' 104' ' ' GLU . 17.3 mt -82.46 -56.62 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 p -137.82 171.38 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.774 HG21 ' CD2' ' A' ' 90' ' ' LEU . 90.6 mt -134.07 113.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 68.78 10.06 7.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.17 2.61 33.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 4.4 mm -100.26 128.1 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 125.49 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -73.19 -19.84 61.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.88 -18.04 54.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -99.38 25.0 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' THR . . . -158.18 -168.43 20.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.686 HG22 ' C ' ' A' ' 41' ' ' GLU . 17.4 p -105.92 159.62 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.735 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -44.5 -59.99 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -57.79 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.55 -55.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.88 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.454 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 23.5 m-20 -63.07 -48.37 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -52.27 -35.47 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.32 -47.33 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.774 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -57.65 -33.81 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -67.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -52.85 -29.8 30.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.67 61.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.92 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.936 HD23 ' HB3' ' A' ' 25' ' ' PRO . 29.2 mt -66.57 -13.41 61.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.78 -19.93 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 1.5 m170 79.43 12.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -152.66 141.73 21.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.58 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 9.3 p -153.18 137.71 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 20' ' ' VAL . 39.5 t -109.92 142.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 100' ' ' VAL . 2.6 mt -136.41 151.75 49.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.48 111.28 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.4 t -93.12 158.94 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.655 ' HG3' HD11 ' A' ' 71' ' ' LEU . 2.4 tt0 -123.34 135.33 54.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -174.75 -178.17 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.0 OUTLIER -147.16 138.86 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.651 HG21 HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -125.01 135.23 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.655 ' HG3' HG13 ' A' ' 100' ' ' VAL . 18.7 tt0 -105.16 119.65 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.06 140.56 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -120.79 101.44 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' A' ' 58' ' ' ALA . 54.1 mt -93.05 144.48 25.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -129.08 112.84 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.19 15.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.57 163.14 21.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.756 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -14.78 21.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.46 -50.12 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.68 6.16 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 44.53 -125.69 6.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 30.6 m-85 -126.19 -86.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.732 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 148.3 69.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -164.57 141.28 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.75 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -117.96 131.4 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 73' ' ' ILE . 24.2 mt -93.94 153.67 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 3.9 tt0 -139.35 111.91 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.422 ' CA ' ' SD ' ' A' ' 83' ' ' MET . . . -156.68 139.53 6.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.71 -160.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.485 ' CG1' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -125.06 -77.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' N ' ' CG1' ' A' ' 37' ' ' ILE . 84.5 m-85 -51.6 127.63 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.15 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 -168.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 mt-10 77.72 -145.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -145.58 155.86 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 83' ' ' MET . 37.0 mt -94.0 114.17 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -82.34 -24.5 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.67 163.88 48.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.08 138.5 22.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.4 Cg_endo -75.0 138.52 23.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.514 HD21 ' CD ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -87.06 165.24 15.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.683 HG11 HD11 ' A' ' 52' ' ' ILE . 28.1 t -77.29 86.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 t -45.41 -62.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 10.2 t80 -138.89 170.46 15.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.683 HD11 HG11 ' A' ' 49' ' ' VAL . 7.2 mt -140.73 143.93 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.8 mt-10 -77.6 144.11 68.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.3 Cg_endo -75.01 132.62 15.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 63.16 13.73 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -75.47 175.55 4.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -40.53 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.42 -30.03 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.7 tp10 -88.89 -40.47 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -50.19 -41.09 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 24.9 m -63.54 -29.67 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 108.369 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 78.85 -47.33 3.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.651 HD12 HG21 ' A' ' 17' ' ' THR . 1.4 mm? -37.9 -58.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 20.8 mt -62.24 154.08 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 2.5 mt-30 -178.3 162.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.4 t -63.45 125.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 18.83 24.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 65' ' ' GLN . 4.5 m-20 -107.66 120.06 41.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.514 ' CD ' HD21 ' A' ' 48' ' ' LEU . 1.7 mtt180 -76.15 141.93 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 33' ' ' LEU . 28.2 t -109.17 99.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.477 HD11 ' CG ' ' A' ' 104' ' ' GLU . 55.5 mt -57.61 -61.61 2.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 p -134.08 166.69 22.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.496 HD11 HD11 ' A' ' 33' ' ' LEU . 73.0 mt -135.91 112.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.557 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.2 t-20 76.64 1.83 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.2 -0.06 23.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 mm -104.26 127.03 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.6 128.01 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.9 p -68.18 -23.3 64.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 61.0 mt-10 -71.1 -14.69 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -108.38 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.76 -159.59 21.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 41' ' ' GLU . 1.4 p -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.702 ' HA ' HD11 ' A' ' 43' ' ' LEU . 9.5 tpt -64.38 -44.56 90.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -53.36 55.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -51.31 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.54 -44.33 56.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -69.92 -39.31 76.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -64.9 -40.5 95.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.0 mt -56.45 -35.42 67.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.834 HD23 HG21 ' A' ' 99' ' ' VAL . 3.8 mt -69.92 -33.79 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -61.7 -67.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -44.88 -42.14 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.557 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -57.91 -41.81 83.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -58.37 -35.54 72.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.756 HD23 ' HB3' ' A' ' 25' ' ' PRO . 27.7 mt -70.31 -14.09 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.69 -20.15 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 4.6 m170 79.4 6.01 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.429 ' HE2' HG23 ' A' ' 100' ' ' VAL . 4.7 tttt -153.13 137.99 17.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.834 HG21 HD23 ' A' ' 90' ' ' LEU . 10.9 p -141.1 143.27 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 18' ' ' GLU . 40.9 t -111.92 127.88 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.797 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.74 145.82 46.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -125.03 115.68 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 16' ' ' THR . 2.6 t -103.35 157.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.477 ' CG ' HD11 ' A' ' 71' ' ' LEU . 7.4 tt0 -122.83 118.11 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 5.8 p90 -159.08 167.51 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -132.98 136.8 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 t -115.42 141.18 48.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.638 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.3 tt0 -104.66 120.41 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.466 HG13 ' SG ' ' A' ' 61' ' ' CYS . 78.9 t -106.83 156.74 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.64 97.41 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -85.58 135.32 33.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -120.18 144.18 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.92 45.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 167.24 10.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.771 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.99 -13.38 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -104.97 -45.07 4.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -80.47 -8.17 59.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.4 -148.59 6.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 10.9 m-85 -108.34 -90.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.791 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 144.26 76.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD21 HD11 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -166.68 137.83 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -114.41 137.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 46.5 mt -107.44 150.67 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -127.51 113.88 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.241 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.89 -155.62 6.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.7 -178.17 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' PHE . 17.8 mm -94.53 -81.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' ILE . 93.9 m-85 -37.36 98.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.31 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.2 p -87.21 85.14 7.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.727 ' C ' HG22 ' A' ' 82' ' ' THR . 1.3 mm-40 -175.79 129.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 82' ' ' THR . 97.4 m -51.3 155.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 83' ' ' MET . 70.6 mt -104.2 110.96 23.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.7 p -73.22 -23.53 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.4 163.57 50.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.96 139.8 24.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.01 144.49 30.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.66 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -96.63 162.63 13.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 52' ' ' ILE . 10.1 t -79.05 82.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' VAL . 3.9 t -41.57 -61.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 3.8 t80 -146.7 167.14 24.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.643 HD11 HG11 ' A' ' 49' ' ' VAL . 77.2 mt -133.9 142.66 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.48 138.58 63.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.85 20.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.1 7.4 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.502 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -81.92 178.82 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -44.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -57.97 -28.36 64.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.21 -40.91 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -25.03 61.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.466 ' SG ' HG13 ' A' ' 19' ' ' VAL . 5.2 t -63.37 -27.07 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.38 -57.84 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -39.54 71.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 133.85 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -159.59 176.36 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.9 t -69.0 136.92 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 72.65 42.42 47.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.507 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -94.78 -12.69 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HA ' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.55 113.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.7 t -97.03 116.46 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.802 HD11 ' HG3' ' A' ' 104' ' ' GLU . 15.6 mt -81.17 -56.16 4.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -146.27 167.02 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.517 HG22 ' OD1' ' A' ' 74' ' ' ASN . 60.4 mt -135.9 112.99 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.676 HD21 ' HB2' ' A' ' 93' ' ' ALA . 0.9 OUTLIER 69.43 15.53 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.98 5.34 53.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.6 HG21 HD11 ' A' ' 89' ' ' LEU . 3.2 mm -101.1 113.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.8 113.55 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 p -59.16 -29.33 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.46 -12.41 61.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -110.7 27.93 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.17 -171.96 21.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.727 HG22 ' C ' ' A' ' 41' ' ' GLU . 9.2 p -107.32 155.36 20.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.541 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.4 tpt -40.38 -57.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -58.29 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.99 -47.11 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -55.81 -50.99 69.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.28 -46.16 84.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -59.48 -36.63 76.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.6 HD11 HG21 ' A' ' 76' ' ' ILE . 30.2 mt -61.2 -38.5 86.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.786 HD11 HD21 ' A' ' 31' ' ' LEU . 4.1 mt -68.58 -37.46 79.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 3.2 mtt180 -59.55 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 95' ' ' LEU . 7.7 t0 -45.16 -52.66 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.676 ' HB2' HD21 ' A' ' 74' ' ' ASN . . . -47.39 -45.4 25.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -54.49 -41.43 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.771 HD23 ' HB3' ' A' ' 25' ' ' PRO . 23.5 mt -62.92 -15.71 56.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.86 -6.67 38.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 67.54 9.33 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.548 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.56 152.41 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.71 HG21 HD23 ' A' ' 90' ' ' LEU . 7.0 p -157.1 143.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.815 ' C ' HD13 ' A' ' 101' ' ' LEU . 22.9 t -112.52 131.42 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.815 HD13 ' C ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -117.22 162.21 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -137.62 111.61 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -102.99 156.82 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.802 ' HG3' HD11 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -119.98 143.46 48.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -178.54 166.54 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -131.79 134.96 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -125.16 144.37 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.766 ' HG3' HG13 ' A' ' 100' ' ' VAL . 25.9 tt0 -99.07 116.81 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.817 HG13 ' SG ' ' A' ' 61' ' ' CYS . 20.2 t -107.39 108.43 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -91.97 103.04 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HG ' HG12 ' A' ' 19' ' ' VAL . 55.2 mt -94.66 148.58 22.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.04 110.9 10.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.61 -179.71 16.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.19 166.51 17.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.545 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.5 Cg_endo -75.0 -19.91 17.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.18 -54.43 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -69.49 -11.75 61.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.91 -144.56 41.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.473 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 37.2 m-85 -102.41 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.649 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 144.36 69.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -167.13 138.29 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.1 mm-40 -105.03 157.59 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -121.8 142.36 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -119.72 119.33 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.52 -150.83 5.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.84 165.88 0.44 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -80.76 -49.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.06 153.32 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.02 14.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.5 p -98.3 66.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.25 127.46 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 43' ' ' LEU . 16.8 m -48.8 165.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 83' ' ' MET . 23.2 mt -114.65 108.45 16.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.57 -23.21 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 163.39 51.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.06 140.93 25.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 143.36 28.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.656 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -95.49 164.11 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 52' ' ' ILE . 18.1 t -79.75 78.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' VAL . 1.7 t -40.83 -60.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 19.0 t80 -141.23 165.93 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.725 HD11 HG11 ' A' ' 49' ' ' VAL . 50.6 mt -133.57 139.31 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 3.1 mt-10 -76.77 136.89 66.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.54 23.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 65.89 11.52 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -84.48 178.82 2.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.97 -45.19 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -55.76 -34.46 65.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -76.76 -43.57 36.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -50.87 -27.19 6.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.817 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -63.25 -29.31 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.266 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.34 -60.81 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.94 -20.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.91 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -85.04 141.59 30.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -164.3 178.57 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.3 t -66.32 133.71 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 78.24 44.91 10.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.611 ' O ' HG12 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -96.89 -13.09 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HA ' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.62 112.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 53.1 t -95.91 117.02 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.751 HD11 ' CG ' ' A' ' 104' ' ' GLU . 19.1 mt -82.85 -56.45 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 p -141.38 155.89 45.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.044 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 72.4 mt -125.18 111.13 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.6 t-20 75.6 5.28 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 -5.78 26.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 mm -94.83 121.72 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.84 123.82 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.0 p -67.24 -35.68 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.64 -20.17 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.37 47.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.19 172.67 43.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' GLU . 62.9 p -94.91 155.18 16.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 0.742 . . . . 0.0 110.358 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.465 ' HA ' HD11 ' A' ' 43' ' ' LEU . 8.2 tpt -41.44 -34.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -44.84 62.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' THR . 28.5 mt-10 -46.85 -46.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -56.03 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -55.95 -44.78 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -59.98 -51.79 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -48.65 -49.28 38.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 90' ' ' LEU . 6.9 mt -58.22 -38.94 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -66.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.81 -40.1 83.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.443 ' HB1' ' CG2' ' A' ' 99' ' ' VAL . . . -52.59 -41.14 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.545 HD23 ' CB ' ' A' ' 25' ' ' PRO . 42.0 mt -58.71 -16.88 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.15 -15.89 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.6 m170 69.04 7.86 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.61 140.38 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.534 HG13 ' CD2' ' A' ' 101' ' ' LEU . 9.8 p -153.23 146.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.766 HG13 ' HG3' ' A' ' 18' ' ' GLU . 5.8 t -106.61 116.21 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.534 ' CD2' HG13 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -103.78 131.44 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -111.11 111.16 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -96.86 160.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.751 ' CG ' HD11 ' A' ' 71' ' ' LEU . 3.4 tt0 -133.41 115.07 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -155.8 175.16 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 2.5 p -148.74 142.94 26.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -133.7 129.93 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.561 ' CG ' HG13 ' A' ' 100' ' ' VAL . 37.8 tt0 -95.06 115.51 27.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.676 ' CG1' HD13 ' A' ' 21' ' ' LEU . 18.5 t -106.68 133.6 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -112.64 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.676 HD13 ' CG1' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -86.22 140.48 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.24 125.14 36.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.62 167.64 39.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.98 161.69 67.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.938 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.02 -16.67 20.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -55.8 5.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -78.65 -30.39 46.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 -120.32 6.33 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -138.84 14.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.722 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 47.01 57.12 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -149.19 145.35 27.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -125.59 125.91 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 70' ' ' VAL . 30.5 mt -91.27 155.69 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 2.3 tt0 -142.66 111.78 6.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.27 -152.75 7.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.55 -171.68 0.1 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt -93.19 -32.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.2 127.18 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . . . -85.47 -55.36 4.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -37.98 -31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' ALA . 2.0 mm-40 -88.2 141.56 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 43' ' ' LEU . 28.0 m -49.04 170.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 83' ' ' MET . 15.0 mt -108.56 110.0 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -24.61 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.1 p -134.53 158.31 75.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.59 29.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.02 140.6 25.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -96.15 166.84 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.498 HG11 ' CD1' ' A' ' 52' ' ' ILE . 24.6 t -76.75 87.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -48.28 -54.42 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.337 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.3 t80 -152.69 169.76 21.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.567 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.2 mt -139.4 140.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 2.3 mt-10 -78.76 142.72 61.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 138.41 22.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.21 9.93 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.524 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -86.91 179.58 1.73 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.31 -24.38 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.87 -40.67 11.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.01 -26.06 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.544 ' SG ' HG13 ' A' ' 19' ' ' VAL . 3.7 m -62.91 -27.46 69.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.18 -60.68 0.4 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.029 HD13 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.71 -29.17 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.029 ' N ' HD13 ' A' ' 63' ' ' LEU . 8.8 tp -71.2 130.49 41.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -154.5 164.93 37.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 49' ' ' VAL . 53.8 t -57.59 134.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.56 -24.9 14.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.616 ' OD2' HD12 ' A' ' 64' ' ' LEU . 16.8 m-20 -55.74 123.48 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.827 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -80.58 140.72 35.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 24.8 t -106.69 102.06 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 104' ' ' GLU . 13.1 mt -69.41 -60.5 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' HG23 ' A' ' 78' ' ' THR . 9.5 p -134.78 171.74 13.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.729 HG21 ' CD2' ' A' ' 90' ' ' LEU . 96.3 mt -134.29 111.63 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.11 6.87 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.42 -0.75 26.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 73' ' ' ILE . 5.6 mm -98.97 126.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.24 132.89 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.633 HG21 HG12 ' A' ' 70' ' ' VAL . 73.8 p -81.07 -30.83 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.365 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.59 -14.79 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.09 39.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.88 -165.44 31.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 39' ' ' ALA . 2.3 p -100.83 168.73 9.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 110.36 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.751 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.81 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -42.47 33.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -45.35 28.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.6 92.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.451 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.0 m-80 -63.69 -54.09 41.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -47.4 -35.52 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.51 -51.81 63.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.729 ' CD2' HG21 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -53.4 -36.26 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.69 -71.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -46.29 -39.45 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.466 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -61.68 -42.42 98.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 25' ' ' PRO . . . -58.75 -34.67 71.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 25' ' ' PRO . 25.3 mt -73.76 -5.94 43.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.75 -14.67 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 8.2 m170 71.72 11.84 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.569 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.41 150.29 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.466 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 11.0 p -160.35 145.78 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.693 ' C ' HD13 ' A' ' 101' ' ' LEU . 97.5 t -114.08 130.85 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.743 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -124.19 145.73 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.51 115.22 24.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 68' ' ' ASP . 1.5 t -106.56 141.89 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.757 ' HB2' HD11 ' A' ' 71' ' ' LEU . 2.3 tt0 -110.58 122.17 47.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 5.3 p90 -160.56 159.79 31.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -131.31 141.52 49.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -125.95 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.609 ' HG3' HG13 ' A' ' 100' ' ' VAL . 11.9 tt0 -100.84 121.0 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.606 HG11 HD12 ' A' ' 64' ' ' LEU . 66.4 t -112.43 124.09 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 100' ' ' VAL . 97.6 t -108.92 124.03 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 21.6 mt -114.93 155.77 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.0 t -135.54 151.58 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.98 -179.65 45.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 166.31 17.02 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.66 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.0 Cg_endo -75.01 -14.52 21.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -95.56 -55.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 m -72.89 -19.41 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.3 -116.13 7.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 14.5 m-85 -135.11 -88.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.574 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 146.45 66.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.864 HD21 HD11 ' A' ' 90' ' ' LEU . 1.3 pp -151.69 146.95 26.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 2.3 mm-40 -123.48 120.86 34.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.67 169.64 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.695 ' OE1' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -145.94 120.92 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.82 -158.32 9.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -37.47 151.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.76 -58.16 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -70.2 152.46 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.98 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -75.89 90.54 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.485 ' C ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER 179.69 116.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.742 ' N ' HG22 ' A' ' 82' ' ' THR . 40.6 m -47.71 149.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.71 HD11 ' HA ' ' A' ' 83' ' ' MET . 99.8 mt -102.06 115.55 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -19.66 53.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.55 164.2 45.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.1 Cg_endo -75.02 134.83 18.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.96 159.13 41.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.695 HD12 ' OE1' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -119.43 172.2 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 66' ' ' VAL . 41.1 t -86.1 136.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.416 ' C ' ' HB ' ' A' ' 66' ' ' VAL . 14.2 t -101.26 -32.54 10.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 108.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -162.46 159.06 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.0 mt -132.31 122.66 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.72 140.97 85.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.86 27.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.43 13.54 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -86.8 179.1 1.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.97 -39.22 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -65.43 -29.45 70.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.12 -41.62 25.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -51.64 -27.51 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.9 m -63.58 -28.33 69.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.69 -56.03 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -62.9 -34.05 76.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.624 HD22 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -67.39 135.2 52.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 52' ' ' ILE . 3.0 pt20 -178.29 146.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.556 ' HA ' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -36.22 147.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.2 13.73 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 37.8 m-20 -112.93 121.41 44.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.78 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.8 mtp180 -67.78 164.6 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 70' ' ' VAL . 10.8 t -139.31 78.79 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 104' ' ' GLU . 22.1 mt -39.11 -67.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -128.17 169.55 14.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.492 HD11 HG11 ' A' ' 70' ' ' VAL . 94.5 mt -135.77 110.64 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.579 HD22 ' HB2' ' A' ' 93' ' ' ALA . 0.8 OUTLIER 75.64 4.22 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 -1.75 24.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -99.51 128.96 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.13 124.82 27.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 p -74.52 -19.56 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.92 -16.16 59.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -107.33 30.83 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.56 -175.49 27.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.742 HG22 ' N ' ' A' ' 42' ' ' THR . 12.2 p -100.77 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 0.807 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.71 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -46.1 -59.79 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.25 -55.81 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.63 -55.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.98 -49.02 42.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.417 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 22.5 m-80 -63.92 -39.75 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.5 -44.51 90.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.4 mt -52.73 -39.62 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.864 HD11 HD21 ' A' ' 31' ' ' LEU . 4.7 mt -65.95 -28.45 68.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -60.37 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -53.62 -31.67 48.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.579 ' HB2' HD22 ' A' ' 74' ' ' ASN . . . -66.8 -42.46 85.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.83 78.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 25' ' ' PRO . 33.2 mt -59.82 -16.06 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.48 -6.91 39.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 17.3 m-70 67.8 7.68 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -154.37 162.17 41.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 90' ' ' LEU . 9.0 p -160.66 167.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 20' ' ' VAL . 79.9 t -138.26 141.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -130.51 149.48 52.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -125.76 114.56 18.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 69' ' ' ARG . 2.3 t -103.73 148.38 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.812 ' HB2' HD11 ' A' ' 71' ' ' LEU . 11.7 tt0 -119.54 124.67 46.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 2.3 p90 -154.08 -176.71 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -136.59 141.32 43.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 105' ' ' PHE . 1.2 t -122.17 127.22 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.714 ' HG3' HG13 ' A' ' 100' ' ' VAL . 26.3 tt0 -103.55 122.73 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.597 HG11 ' SG ' ' A' ' 61' ' ' CYS . 81.5 t -122.55 133.62 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -100.94 97.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.42 148.53 23.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.52 108.39 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.243 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.35 -179.68 16.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -94.63 158.5 35.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.919 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.0 -14.73 21.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -53.01 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.61 -122.59 6.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 90' ' ' LEU . 28.8 m-85 -130.55 11.4 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 46.54 59.53 5.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -158.05 140.54 14.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.404 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -113.53 128.1 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 76.5 mt -101.88 131.2 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -105.35 123.37 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.21 -169.32 12.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -39.09 147.76 0.13 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.94 -45.73 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.05 111.28 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.24 -40.97 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.0 p -69.91 -166.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' C ' HG22 ' A' ' 82' ' ' THR . 1.8 mm-40 64.37 127.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -51.39 155.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' A' ' 83' ' ' MET . 12.9 mt -91.54 107.12 18.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -25.35 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 163.66 49.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.76 30.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 142.93 28.46 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -106.43 159.44 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 64' ' ' LEU . 31.2 t -71.66 138.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.61 -47.89 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -145.03 157.22 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' A' ' 64' ' ' LEU . 11.2 mt -134.64 126.57 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.52 146.01 99.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.24 21.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.95 12.4 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.67 -179.89 1.67 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -56.13 -23.27 33.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 9.9 tp10 -91.96 -43.51 9.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.37 -35.29 37.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' HG11 ' A' ' 19' ' ' VAL . 1.3 t -63.6 -28.57 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.11 -59.71 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.26 -41.95 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 49' ' ' VAL . 1.7 tt -68.99 131.38 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.91 168.94 25.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 49' ' ' VAL . 72.3 t -61.99 131.29 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.73 -29.14 9.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.26 174.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.971 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.5 mpp_? -123.32 160.78 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.686 HG11 HD11 ' A' ' 73' ' ' ILE . 54.0 t -135.43 95.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 104' ' ' GLU . 25.2 mt -67.28 -60.15 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 p -130.82 161.42 31.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.026 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.686 HD11 HG11 ' A' ' 70' ' ' VAL . 93.3 mt -133.58 113.62 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.757 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.3 t-20 71.79 8.28 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.27 5.64 34.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.1 mm -107.6 120.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.15 125.29 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.504 HG21 HG12 ' A' ' 70' ' ' VAL . 23.0 p -65.65 -28.33 69.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.33 -12.48 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -105.53 36.79 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.67 165.69 37.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 41' ' ' GLU . 67.9 p -87.4 159.98 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.599 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.12 -59.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -48.13 -52.74 19.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.32 -40.11 11.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -64.18 -50.0 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.447 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 21.9 m-80 -61.9 -35.44 78.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -71.22 -45.17 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.83 -27.99 46.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 29' ' ' PHE . 6.3 mt -78.18 -33.78 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.438 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -59.94 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.46 ' HA ' HD12 ' A' ' 95' ' ' LEU . 11.2 t70 -51.31 -41.8 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.757 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -64.82 -29.14 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -73.64 -30.14 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.919 HD23 ' HB3' ' A' ' 25' ' ' PRO . 20.5 mt -75.86 -6.8 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.23 -17.54 16.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.3 m170 74.28 8.3 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -153.35 137.89 16.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.653 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 12.8 p -149.77 156.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.714 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.0 t -112.96 127.88 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.738 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.5 OUTLIER -115.01 134.75 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.07 110.94 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.971 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.1 t -105.87 146.29 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.669 ' HB2' HD11 ' A' ' 71' ' ' LEU . 2.0 tt0 -114.62 129.28 56.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.489 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 1.8 p90 -155.13 172.12 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -109.07 83.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.5 128.07 34.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.78 149.17 47.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.01 156.69 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -176.62 162.56 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.61 -73.43 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.83 -144.13 3.9 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.99 -141.43 17.03 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -156.48 161.26 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.9 pp -73.0 151.71 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.416 ' O ' HD12 ' A' ' 11' ' ' ILE . 16.0 m -54.75 136.64 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -72.37 -19.1 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.6 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -132.77 158.77 41.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' O ' HG23 ' A' ' 16' ' ' THR . 1.5 mm-40 -104.3 173.33 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 15' ' ' GLU . 13.2 p -157.07 161.06 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.637 HG21 HD11 ' A' ' 63' ' ' LEU . 5.2 t -135.67 135.92 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.752 ' HG3' HG13 ' A' ' 100' ' ' VAL . 29.8 tt0 -95.58 117.14 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.598 ' O ' HD22 ' A' ' 101' ' ' LEU . 50.9 t -103.05 110.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 100' ' ' VAL . 62.6 t -95.82 112.09 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.538 ' HB2' HG12 ' A' ' 99' ' ' VAL . 15.9 mt -109.21 148.87 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -133.85 146.03 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 108.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 97' ' ' HIS . . . 178.32 177.6 47.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -89.43 165.4 25.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.822 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.5 Cg_endo -74.93 -16.05 20.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.059 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.08 -55.9 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -12.93 60.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.29 -127.38 42.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.442 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 11.3 m-85 -123.9 -88.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.644 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 147.45 69.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -163.84 145.55 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -121.68 134.1 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.43 153.5 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.1 tt0 -128.33 123.28 33.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.29 -152.92 6.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.53 158.13 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -70.63 -48.24 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.1 153.47 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.0 -52.61 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.9 p -68.31 77.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.93 137.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -59.78 163.19 4.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 83' ' ' MET . 77.6 mt -112.01 118.83 36.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.6 m -78.36 -24.44 46.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.34 163.34 51.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.03 138.43 22.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -75.0 145.78 31.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.764 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.77 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -97.1 166.03 11.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.803 HG11 HD11 ' A' ' 52' ' ' ILE . 23.9 t -73.65 82.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -42.15 -57.89 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 8.5 t80 -150.98 167.76 26.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.803 HD11 HG11 ' A' ' 49' ' ' VAL . 42.7 mt -136.63 145.56 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 2.5 mt-10 -81.79 138.28 46.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.77 14.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.8 11.82 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -82.76 178.06 2.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.1 Cg_endo -75.03 -39.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -63.7 -28.77 70.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -81.88 -38.04 25.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -54.4 -29.67 49.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 108.307 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.82 -59.89 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.637 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -44.03 -36.55 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.333 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.2 144.06 38.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 13.9 pt20 -170.83 164.44 7.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.04 131.98 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.42 -36.54 4.14 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 11.2 m-20 -46.62 170.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.947 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -123.08 156.3 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.26 93.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 104' ' ' GLU . 38.3 mt -62.74 -62.59 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.9 p -134.36 169.16 17.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.698 HG22 ' OD1' ' A' ' 74' ' ' ASN . 67.5 mt -133.74 111.65 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.698 ' OD1' HG22 ' A' ' 73' ' ' ILE . 0.9 OUTLIER 68.73 12.02 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.3 -1.46 32.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.88 116.71 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.78 136.9 56.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.6 p -82.93 -28.66 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.0 -18.93 61.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -103.97 33.03 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.13 -172.45 25.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.2 p -108.55 151.17 26.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.373 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.73 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.51 -58.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -47.72 -57.17 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -43.71 -48.19 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.62 -50.96 68.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.445 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.7 m-20 -62.77 -46.48 87.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -60.01 -39.86 87.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.09 -28.83 62.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.774 HD23 HG21 ' A' ' 99' ' ' VAL . 4.3 mt -78.05 -29.14 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -58.11 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -52.3 -39.97 61.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.704 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -60.93 -44.26 97.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.12 76.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.822 HD23 ' HB3' ' A' ' 25' ' ' PRO . 52.7 mt -61.34 -16.41 45.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -93.62 -13.8 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' GLY . 6.6 m170 74.19 7.98 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.471 ' CE ' HG13 ' A' ' 20' ' ' VAL . 4.2 tttt -153.31 148.81 27.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.774 HG21 HD23 ' A' ' 90' ' ' LEU . 4.8 p -149.93 156.31 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.752 HG13 ' HG3' ' A' ' 18' ' ' GLU . 6.5 t -132.86 123.72 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.647 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -114.89 148.88 38.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.69 117.15 27.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -102.08 152.27 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.603 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.2 tt0 -110.44 145.41 37.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 25.8 p90 178.44 163.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -104.89 94.03 5.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t -53.72 100.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -176.25 -158.64 20.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 75.75 3.59 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -88.07 86.57 7.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -77.1 155.31 32.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -157.83 -58.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -43.6 144.85 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.01 170.2 41.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -131.79 166.06 22.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.48 128.14 54.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.17 170.07 13.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.23 -109.36 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.97 120.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' HB2' HD12 ' A' ' 11' ' ' ILE . 1.6 pm0 -138.84 133.05 31.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.452 HD12 ' HB2' ' A' ' 10' ' ' GLN . 3.3 mp 65.63 126.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 t 58.85 106.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -175.16 106.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.536 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -49.04 157.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.11 146.69 26.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -138.15 155.75 48.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -133.52 152.14 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.132 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.679 ' HG3' HG13 ' A' ' 100' ' ' VAL . 12.7 tt0 -114.93 117.79 31.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.5 t -111.57 127.87 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 100' ' ' VAL . 69.5 t -107.12 105.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.559 HD12 HD22 ' A' ' 31' ' ' LEU . 14.0 mt -99.84 141.63 32.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.7 148.44 52.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 108.284 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.84 178.51 46.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -84.49 165.41 38.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.958 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.0 -14.93 20.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.52 -49.25 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -76.37 -31.66 58.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.25 -126.19 7.73 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.616 ' CD2' HG11 ' A' ' 99' ' ' VAL . 11.8 m-85 -135.43 12.56 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 51.1 55.1 20.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.706 HD21 ' CD1' ' A' ' 90' ' ' LEU . 0.7 OUTLIER -149.48 142.25 24.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 0.794 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -124.87 135.76 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.85 158.61 15.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.0 114.53 10.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.75 -147.32 4.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.29 177.91 0.43 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.0 mm -86.19 -48.38 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -83.41 114.92 21.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.37 -46.14 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 p -67.14 -167.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 67.71 127.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.3 m -52.43 157.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD11 ' HA ' ' A' ' 83' ' ' MET . 21.3 mt -99.33 115.09 28.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -73.45 -28.14 61.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.5 162.83 55.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.5 Cg_endo -74.93 142.94 28.69 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 147.92 34.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.873 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -103.63 167.75 9.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.573 HG11 ' CD1' ' A' ' 52' ' ' ILE . 40.7 t -75.56 99.69 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 t -60.3 -53.11 61.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.339 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 24.9 t80 -151.2 169.35 22.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.575 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 27.1 mt -142.04 141.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -78.93 143.56 62.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 131.27 14.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.69 9.21 7.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -76.4 178.62 1.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.96 -39.41 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.868 ' HB1' HD23 ' A' ' 64' ' ' LEU . . . -63.64 -25.43 68.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 6.1 tm-20 -90.19 -36.08 14.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -37.18 70.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.1 m -63.49 -28.33 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.256 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.11 -54.94 2.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' GLY . 8.1 mt -40.02 -57.1 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.868 HD23 ' HB1' ' A' ' 58' ' ' ALA . 13.7 tp -57.89 139.19 54.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -170.33 151.06 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.8 t -47.74 127.84 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.36 -39.44 2.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -45.12 166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.932 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -118.36 158.05 25.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -130.2 94.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 104' ' ' GLU . 35.9 mt -60.49 -62.7 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 p -128.78 169.88 14.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.815 HG21 ' CD2' ' A' ' 90' ' ' LEU . 92.6 mt -130.84 110.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.65 7.34 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.88 -0.32 25.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.616 HG21 HD11 ' A' ' 89' ' ' LEU . 3.5 mm -98.64 120.27 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.61 122.7 19.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 71' ' ' LEU . 25.1 p -69.51 -26.57 64.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.06 -15.66 63.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -100.91 40.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.07 -170.82 42.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.0 p -103.69 160.46 14.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.431 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.742 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.9 -58.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -42.49 -58.56 2.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -38.35 -51.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.14 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 14.9 m-20 -62.92 -55.87 22.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -46.09 -34.21 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 76' ' ' ILE . 23.9 mt -66.54 -49.48 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.815 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -55.13 -36.11 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -60.94 -68.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -49.7 -36.03 23.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -66.06 -37.88 86.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.958 HD23 ' HB3' ' A' ' 25' ' ' PRO . 53.8 mt -66.37 -16.88 64.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.92 40.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.3 m170 67.88 11.36 8.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.62 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.27 153.21 32.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.616 HG11 ' CD2' ' A' ' 29' ' ' PHE . 12.3 p -161.48 144.15 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.679 HG13 ' HG3' ' A' ' 18' ' ' GLU . 63.6 t -114.19 133.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.9 mt -120.31 145.08 47.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 111.64 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -99.77 155.4 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.683 ' HB2' HD11 ' A' ' 71' ' ' LEU . 3.9 tt0 -121.35 136.81 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -169.58 179.8 3.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.48 9.66 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.3 t 62.23 89.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.048 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.23 134.65 2.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.05 2.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.2 p -61.65 116.4 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.3 m 63.28 147.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.969 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.7 158.88 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.006 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -154.25 170.39 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.67 65.7 1.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -140.32 170.51 15.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.777 . . . . 0.0 110.039 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -40.26 103.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.36 -98.04 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.76 -92.5 0.47 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.95 -159.1 8.04 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -122.43 66.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.3 tt -45.62 139.0 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.832 HG13 ' CD2' ' A' ' 13' ' ' HIS . 13.8 p -160.6 156.65 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.832 ' CD2' HG13 ' A' ' 12' ' ' VAL . 28.2 p80 49.98 -177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.61 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 15' ' ' GLU . 2.0 m -50.49 177.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.389 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 16' ' ' THR . 1.4 mm-40 -113.68 170.95 7.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' GLU . 1.9 p -152.9 134.2 14.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.6 t -114.97 131.95 56.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.518 ' CG ' HG13 ' A' ' 100' ' ' VAL . 18.7 tt0 -98.42 118.24 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.586 ' O ' HD22 ' A' ' 101' ' ' LEU . 51.5 t -107.1 134.92 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.3 t -115.02 107.12 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 21.7 mt -101.5 147.33 26.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.77 145.78 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.15 -172.77 42.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.38 166.39 13.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.718 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.01 -16.64 20.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.87 -47.63 5.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -82.22 -1.47 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.16 -117.97 3.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.44 -89.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.64 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 151.33 56.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -150.69 141.4 22.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -119.38 130.04 55.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.6 mt -88.11 156.66 19.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.0 tt0 -141.38 109.54 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -127.56 -155.86 8.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . -134.71 -175.23 13.77 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 36' ' ' GLY . 1.2 mp 59.01 156.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -43.28 150.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.75 -38.5 7.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 1.2 t -106.13 99.47 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.71 ' C ' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER 166.74 137.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.617 ' N ' HG22 ' A' ' 82' ' ' THR . 50.9 m -42.88 151.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 83' ' ' MET . 62.2 mt -104.56 126.69 51.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.1 p -76.84 -27.88 55.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.493 ' CA ' ' OE1' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -134.62 163.33 51.99 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.98 139.54 24.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.01 147.45 33.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.699 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -107.65 171.03 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.559 HG21 HD21 ' A' ' 64' ' ' LEU . 37.6 t -75.57 98.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.58 -52.06 67.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.276 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.4 t80 -149.6 169.82 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 81.1 mt -139.31 141.6 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.44 138.08 51.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.83 14.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.61 11.76 5.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.495 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -85.34 178.05 2.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.97 -40.34 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -63.31 -22.77 67.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -88.62 -38.15 15.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.44 -24.84 65.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.57 -28.09 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.99 -57.77 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.23 -36.41 61.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.559 HD21 HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -72.58 134.51 45.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.443 ' HA ' HD12 ' A' ' 52' ' ' ILE . 26.4 pt20 -167.31 154.77 8.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 55.7 t -45.27 130.98 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.75 -33.12 5.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -53.59 132.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.945 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.7 mtp180 -85.41 163.66 18.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.41 88.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 104' ' ' GLU . 50.7 mt -58.11 -59.41 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 11.1 p -130.83 164.82 24.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 67.3 mt -134.78 111.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.549 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.3 t-20 76.47 2.06 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.06 -3.52 20.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.518 ' HB ' HD13 ' A' ' 89' ' ' LEU . 12.5 mm -98.35 126.38 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.51 126.24 30.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 71' ' ' LEU . 20.5 p -71.24 -30.73 66.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' OE1' ' CA ' ' A' ' 45' ' ' SER . 4.3 mm-40 -66.69 -21.17 66.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.62 17.93 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.44 -170.1 12.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.71 HG22 ' C ' ' A' ' 41' ' ' GLU . 8.1 p -112.41 152.01 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.504 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.26 -58.24 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -57.01 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -43.85 -51.94 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.59 -47.01 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.436 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 18.0 m-20 -64.18 -49.25 72.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -54.45 -40.93 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.518 HD13 ' HB ' ' A' ' 76' ' ' ILE . 37.2 mt -56.94 -33.77 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.863 HD23 HG21 ' A' ' 99' ' ' VAL . 2.6 mt -72.99 -36.18 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 2.5 mtt-85 -61.88 -61.09 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -49.45 -52.28 30.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.674 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -48.39 -47.97 37.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -53.78 -44.54 70.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.718 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.2 mt -60.95 -17.23 50.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.08 -13.72 24.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 m170 74.95 10.77 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 147.64 25.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.863 HG21 HD23 ' A' ' 90' ' ' LEU . 7.9 p -151.72 148.07 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.734 ' C ' HD13 ' A' ' 101' ' ' LEU . 87.8 t -121.15 133.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.734 HD13 ' C ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -125.87 153.47 44.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.56 116.31 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.945 HG13 ' O ' ' A' ' 69' ' ' ARG . 2.0 t -99.35 158.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 71' ' ' LEU . 19.9 tt0 -119.42 132.14 55.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 6.5 p90 -173.85 169.99 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.2 110.81 23.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.78 79.33 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -165.55 -172.33 32.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 57.64 4.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.7 t 43.09 78.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.5 p -124.31 134.25 53.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.133 . . . . 0.0 111.006 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.72 141.8 30.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -41.08 143.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.56 162.89 36.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.0 160.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -94.15 102.01 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.89 -157.55 15.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.89 -91.7 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.49 88.03 0.06 OUTLIER Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -134.94 89.61 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 pt -113.58 136.35 50.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.5 t -78.45 119.15 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -111.78 -59.34 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.615 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 105' ' ' PHE . 5.3 m -141.64 159.56 41.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -81.5 150.77 28.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 2.4 p -135.89 157.02 47.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.403 HG22 ' HB ' ' A' ' 103' ' ' VAL . 6.7 t -133.42 142.53 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.717 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.0 tt0 -106.98 116.53 32.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.616 HG13 ' SG ' ' A' ' 61' ' ' CYS . 66.1 t -108.26 132.7 55.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 t -108.93 101.53 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.513 HD12 ' CD2' ' A' ' 31' ' ' LEU . 10.7 mt -95.37 150.21 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -135.23 145.32 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 108.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.94 -173.3 37.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.75 167.07 12.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.488 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.81 -47.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.55 66.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.11 -152.11 46.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -103.33 -90.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.739 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.99 58.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 90' ' ' LEU . 1.5 pp -155.72 133.18 10.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' CYS . 3.0 mm-40 -109.43 126.65 53.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 70' ' ' VAL . 73.6 mt -89.57 147.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.843 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.8 tt0 -129.98 122.12 27.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.36 153.73 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' ILE . . . 41.95 94.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' GLY . 5.8 mt -39.48 -39.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -92.94 168.04 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.34 -57.81 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 41.2 p -67.26 91.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER 166.12 145.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.6 m -66.64 155.42 37.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.803 HD11 ' HA ' ' A' ' 83' ' ' MET . 25.3 mt -102.38 109.95 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.405 ' C ' ' OE1' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -72.4 -23.49 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 110.018 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 p -134.52 163.53 50.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -75.0 141.23 26.39 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.2 Cg_endo -74.98 140.73 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.888 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -94.63 169.83 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.636 HG11 ' CD1' ' A' ' 52' ' ' ILE . 20.0 t -83.24 85.72 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -46.1 -59.6 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 20.2 t80 -144.12 170.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.636 ' CD1' HG11 ' A' ' 49' ' ' VAL . 7.5 mt -141.45 138.96 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.3 mt-10 -72.05 139.98 82.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.07 17.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.41 13.04 8.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.515 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.69 178.62 2.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -38.67 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.464 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -65.3 -25.19 67.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -85.8 -41.47 15.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -53.75 -26.51 23.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.616 ' SG ' HG13 ' A' ' 19' ' ' VAL . 1.2 m -63.29 -28.34 69.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 108.342 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 -57.84 0.61 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.442 1.089 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.38 -31.51 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -83.47 133.17 34.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 52' ' ' ILE . 6.6 mt-30 -164.42 175.56 9.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.97 131.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.06 -42.86 1.85 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.66 150.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.991 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.6 mpp_? -106.63 161.35 14.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.444 HG21 HD21 ' A' ' 33' ' ' LEU . 91.7 t -134.18 88.65 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' A' ' 104' ' ' GLU . 52.3 mt -55.13 -57.93 9.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 62.6 p -132.11 167.36 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.764 HG21 ' CD2' ' A' ' 90' ' ' LEU . 95.7 mt -130.82 110.89 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.99 8.2 6.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.96 0.88 27.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.446 HG21 HD11 ' A' ' 89' ' ' LEU . 5.8 mm -98.92 118.43 45.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.78 118.06 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.3 p -66.65 -23.79 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' C ' ' A' ' 44' ' ' SER . 2.8 mm-40 -72.35 -24.68 61.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -97.3 16.27 20.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.39 -178.22 19.01 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.3 p -99.78 157.18 16.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.803 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.97 -58.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -48.92 -56.01 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -37.92 -55.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.34 -47.67 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' LEU . 19.6 m-80 -65.48 -61.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -41.36 -35.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.446 HD11 HG21 ' A' ' 76' ' ' ILE . 28.8 mt -63.74 -49.06 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.764 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -56.46 -28.38 59.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -62.71 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.66 -28.43 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HB1' HG23 ' A' ' 99' ' ' VAL . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.24 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.488 HD23 ' CB ' ' A' ' 25' ' ' PRO . 64.5 mt -60.7 -15.55 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.5 -9.93 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.1 m170 68.21 8.29 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -153.87 158.51 40.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.472 HG13 HD21 ' A' ' 101' ' ' LEU . 9.9 p -161.84 164.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.717 HG13 ' HG3' ' A' ' 18' ' ' GLU . 39.8 t -132.47 120.24 41.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.796 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -110.11 133.61 53.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -110.99 110.93 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.991 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.8 t -98.03 156.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.65 ' CG ' HD11 ' A' ' 71' ' ' LEU . 4.9 tt0 -124.79 129.98 51.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 14' ' ' THR . 3.4 p90 -161.3 166.75 27.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -103.67 9.95 37.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.9 p 57.91 105.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.88 172.94 36.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 129.9 12.81 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.6 t -154.56 126.35 7.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.4 t -147.31 151.85 37.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.36 158.73 34.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.19 114.05 17.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.04 -139.83 6.61 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t 62.61 129.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.0 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.2 131.3 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.15 -161.94 9.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.18 156.39 12.28 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.92 -120.51 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -89.32 116.46 27.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 mm -64.33 127.5 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.32 110.2 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -78.32 -65.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.612 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 15' ' ' GLU . 2.4 m -116.51 176.56 5.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' H ' HG22 ' A' ' 14' ' ' THR . 2.2 mt-10 -118.97 164.84 14.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -140.62 143.11 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -123.81 142.26 51.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.645 ' HG3' HG13 ' A' ' 100' ' ' VAL . 19.5 tt0 -109.0 121.49 45.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.578 ' O ' HD22 ' A' ' 101' ' ' LEU . 66.8 t -114.31 131.87 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG22 HG22 ' A' ' 100' ' ' VAL . 76.8 t -112.3 109.33 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 58' ' ' ALA . 71.5 mt -100.53 141.66 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.66 113.1 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.3 170.16 32.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 50.4 m-20 -81.09 155.77 72.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.969 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -33.46 4.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.02 -56.46 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -85.17 -25.46 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 88.69 -125.16 7.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -127.06 -85.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.89 59.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD11 HD11 ' A' ' 90' ' ' LEU . 1.9 pp -155.24 130.66 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -111.12 127.56 55.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.793 HD21 HG21 ' A' ' 70' ' ' VAL . 27.9 mt -88.49 160.5 17.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 tt0 -138.67 112.55 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.36 -148.23 4.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.65 177.42 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 mp -89.86 -45.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -82.65 118.61 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -44.57 -44.8 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -70.57 -168.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' THR . 2.2 mt-10 67.18 108.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.574 ' N ' HG22 ' A' ' 82' ' ' THR . 17.1 m -39.1 158.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.851 HD11 ' HA ' ' A' ' 83' ' ' MET . 65.2 mt -100.58 117.37 34.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -79.18 -22.51 44.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.5 p -134.27 157.65 77.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.6 Cg_endo -74.99 138.01 22.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.02 139.91 24.77 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.836 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -91.61 165.38 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 52' ' ' ILE . 79.0 t -74.55 96.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 t -57.0 -55.98 27.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.1 t80 -147.95 168.85 21.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.606 HD11 HG11 ' A' ' 49' ' ' VAL . 79.1 mt -137.24 143.16 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -76.31 140.53 69.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 125.27 9.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.61 20.02 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.498 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.88 177.64 2.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.051 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.92 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.962 ' HB1' HD13 ' A' ' 64' ' ' LEU . . . -60.16 -34.61 73.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLY . 4.6 tp10 -78.18 -41.97 33.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -50.54 -36.06 32.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.417 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 14.8 m -63.27 -28.34 69.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 76.55 -53.84 3.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -43.26 -39.62 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 0.786 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.962 HD13 ' HB1' ' A' ' 58' ' ' ALA . 2.2 tt -71.94 132.35 44.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 8.1 pt20 -162.27 154.77 19.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.17 136.11 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.9 -35.23 5.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 52.5 m-20 -45.47 140.85 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.836 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.29 134.39 40.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.793 HG21 HD21 ' A' ' 33' ' ' LEU . 69.1 t -103.62 102.68 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' A' ' 104' ' ' GLU . 28.1 mt -72.01 -60.04 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 p -133.41 164.57 26.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.507 HD11 HD11 ' A' ' 33' ' ' LEU . 96.7 mt -135.01 112.31 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.561 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.4 t-20 74.03 8.8 4.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.3 5.14 34.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.456 HG21 HD11 ' A' ' 89' ' ' LEU . 3.4 mm -107.71 120.23 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.42 121.39 19.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.9 p -61.65 -32.11 72.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.11 -15.5 62.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.97 32.35 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.11 -174.18 37.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 42' ' ' THR . 79.4 p -102.14 156.63 17.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.851 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.95 -58.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -47.76 -59.89 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.22 -46.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -57.96 -51.81 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.439 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.5 m-80 -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -61.88 -40.22 94.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 76' ' ' ILE . 25.7 mt -58.27 -34.54 70.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.735 HD23 HG21 ' A' ' 99' ' ' VAL . 3.0 mt -70.85 -35.05 72.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -58.1 -65.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -48.39 -48.58 36.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -52.33 -49.06 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 25' ' ' PRO . . . -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.969 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.8 mt -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -90.6 -9.84 45.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 66.67 15.34 10.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -153.13 142.17 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.735 HG21 HD23 ' A' ' 90' ' ' LEU . 6.3 p -150.82 147.7 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 18' ' ' GLU . 73.7 t -119.26 126.79 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.77 144.9 42.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.56 112.24 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.69 145.17 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.729 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.8 tt0 -109.08 142.19 40.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 14' ' ' THR . 6.5 p90 -179.19 165.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -99.72 102.03 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.4 t -58.4 101.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -169.0 -144.54 4.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.81 23.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.9 p -95.7 139.36 32.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.0 t -132.82 156.15 47.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -169.73 132.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.021 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -90.12 161.29 15.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.52 107.39 0.33 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.1 111.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -135.27 160.3 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.95 -127.21 1.02 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.86 -165.02 18.14 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.33 72.58 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -55.56 164.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 mt -97.73 135.58 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -134.98 134.28 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -125.47 -55.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 105' ' ' PHE . 1.7 m -73.8 -171.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' THR . 1.8 mm-40 -115.71 178.64 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 15' ' ' GLU . 3.6 p -157.61 140.54 15.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -125.97 133.94 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' CG ' HG13 ' A' ' 100' ' ' VAL . 33.4 tt0 -90.52 116.44 28.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.73 HG11 HD22 ' A' ' 64' ' ' LEU . 69.1 t -103.69 106.31 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.655 HG22 HG22 ' A' ' 100' ' ' VAL . 42.2 t -99.08 112.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -110.98 150.66 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 m -129.98 112.59 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.84 169.24 26.69 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.93 162.54 57.02 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.427 0.722 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.83 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.0 -14.16 21.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.551 1.816 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -53.92 4.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.1 p -78.09 -25.09 47.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.06 -125.79 7.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 31.7 m-85 -131.16 11.19 5.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 48.61 50.07 25.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.714 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -147.43 142.37 26.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -119.18 145.76 45.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD21 HG21 ' A' ' 70' ' ' VAL . 39.4 mt -105.5 141.42 37.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.497 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.5 tt0 -113.7 125.28 53.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.75 -148.87 5.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.21 155.95 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.62 -48.85 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.11 163.1 27.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' ' 84' ' ' GLU . . . -91.59 -49.31 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.2 p -74.77 90.71 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.48 136.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -69.8 158.07 36.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 83' ' ' MET . 31.2 mt -101.2 111.16 23.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 p -76.29 -25.12 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.3 163.47 50.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.5 Cg_endo -74.93 140.85 26.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.79 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 158.97 41.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -113.38 162.63 15.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 52' ' ' ILE . 25.3 t -65.93 82.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 5.5 t -43.49 -60.49 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.598 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 37.0 t80 -143.56 171.39 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.598 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.1 mt -140.7 140.32 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.28 142.38 35.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 142.7 27.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.771 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.32 15.51 5.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -91.11 178.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.96 -36.64 2.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.714 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -64.8 -25.9 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.0 tp10 -91.92 -38.32 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -33.79 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.53 69.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.078 . . . . 0.0 108.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 69.77 -58.28 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -49.32 -42.97 43.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.73 HD22 HG11 ' A' ' 19' ' ' VAL . 6.9 tp -64.81 130.22 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -160.3 156.17 25.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -42.84 132.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.97 -40.56 2.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.643 ' OD2' HD12 ' A' ' 64' ' ' LEU . 2.4 m-20 -46.57 128.95 10.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.904 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -83.18 170.13 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.453 HG12 HG21 ' A' ' 78' ' ' THR . 91.2 t -138.75 88.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.552 HD11 ' HG3' ' A' ' 104' ' ' GLU . 43.4 mt -56.05 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.0 p -132.29 165.47 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.709 HG21 ' CD2' ' A' ' 90' ' ' LEU . 89.4 mt -124.1 110.85 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.1 6.23 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.93 4.9 25.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.9 mm -106.62 120.5 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 0.725 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.45 133.93 56.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.453 HG21 HG12 ' A' ' 70' ' ' VAL . 47.0 p -78.18 -13.3 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 40.9 mt-10 -84.86 -14.82 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.29 19.94 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -158.89 155.47 26.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 85' ' ' GLU . 82.3 p -71.8 166.85 21.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.46 ' HA ' HD11 ' A' ' 43' ' ' LEU . 8.8 tpt -49.21 -22.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG3' ' HB1' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -85.82 -29.28 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -62.86 -47.67 82.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.68 76.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.03 -52.81 57.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -47.85 -33.82 7.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.175 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 89' ' ' LEU . 15.4 mt -65.7 -50.77 63.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.709 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -55.03 -36.69 65.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.614 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -55.96 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -49.23 -46.42 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.17 -30.08 59.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -68.41 -33.57 74.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' A' ' 25' ' ' PRO . 66.2 mt -70.66 -14.87 62.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.38 -14.96 27.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.5 m170 73.83 9.4 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.89 144.31 23.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 13.1 p -150.8 148.17 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.655 HG22 HG22 ' A' ' 20' ' ' VAL . 45.4 t -121.36 141.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mt -133.31 151.78 51.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.81 111.61 15.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.9 t -93.17 160.27 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.552 ' HG3' HD11 ' A' ' 71' ' ' LEU . 5.6 tt0 -123.06 132.75 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.564 ' O ' HG22 ' A' ' 14' ' ' THR . 6.9 p90 -176.57 170.52 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -106.87 112.77 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -74.57 98.75 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.03 174.68 39.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.4 m -137.63 132.63 33.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.5 m 53.47 84.73 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -173.49 169.09 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -167.31 132.14 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.63 178.02 38.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -84.77 93.22 8.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p -123.52 123.04 39.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.57 172.3 35.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.44 -114.67 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.71 173.39 35.01 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.04 82.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.786 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 tp -44.33 144.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 13' ' ' HIS . 4.2 p -44.17 -49.7 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.403 ' N ' HG13 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 78.9 119.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.598 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 105' ' ' PHE . 6.5 m 61.08 165.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 16' ' ' THR . 2.1 mt-10 -91.72 163.26 14.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 15' ' ' GLU . 2.7 p -154.91 147.71 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -119.73 136.0 54.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.581 ' HG3' HG13 ' A' ' 100' ' ' VAL . 17.4 tt0 -103.5 119.05 38.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG1' ' SG ' ' A' ' 61' ' ' CYS . 86.5 t -106.74 158.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.7 t -130.01 97.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.641 HD21 ' CB ' ' A' ' 58' ' ' ALA . 1.0 OUTLIER -88.73 133.21 34.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -119.73 145.2 46.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 108.255 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.35 178.03 48.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.52 167.17 17.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -74.95 -14.47 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -105.15 -44.79 4.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 t -74.34 -16.22 60.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.53 -141.86 48.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -117.92 -90.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.853 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.17 66.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.69 135.4 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -117.21 132.73 56.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 70' ' ' VAL . 22.5 mt -95.83 160.17 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -137.07 112.05 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.43 -143.08 3.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.68 179.74 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mm -99.52 -56.68 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -64.6 125.44 24.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.67 -43.51 36.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -72.7 -168.62 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 68.03 116.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -55.53 161.75 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 83' ' ' MET . 72.5 mt -93.86 123.11 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -26.19 32.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.36 163.32 52.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.01 138.08 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.02 150.76 38.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -99.09 161.75 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 52' ' ' ILE . 40.7 t -72.71 86.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 t -47.11 -56.98 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.3 t80 -149.7 168.61 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 8.3 mt -138.76 140.21 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.06 138.42 72.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.6 19.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.538 1.809 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 68.85 9.0 7.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -81.0 178.44 2.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -74.97 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -59.38 -24.47 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -86.3 -42.07 14.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -54.96 -23.22 18.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 8.3 t -63.33 -27.88 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.08 -58.61 0.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -50.15 -40.65 47.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.34 159.09 24.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 171.81 158.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.1 t -53.4 133.68 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.44 -41.38 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.55 159.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.753 ' HG3' HD23 ' A' ' 48' ' ' LEU . 1.3 mpp_? -117.27 118.29 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 55.9 t -86.07 112.22 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 104' ' ' GLU . 20.0 mt -79.41 -57.22 3.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.1 p -136.89 167.18 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.573 HD11 HD11 ' A' ' 33' ' ' LEU . 69.1 mt -135.55 112.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.4 t-20 74.9 8.66 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.63 -0.68 34.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.1 mm -102.18 127.67 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.62 131.65 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.3 p -68.96 -27.15 65.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -67.09 -13.82 62.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -107.81 32.18 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -166.77 165.22 38.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.2 p -88.64 160.35 17.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.465 ' HA ' HD11 ' A' ' 43' ' ' LEU . 6.6 tpt -43.31 -42.47 4.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.2 -40.74 78.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -53.45 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.77 -40.82 80.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -67.41 -45.16 76.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.3 mt -52.46 -32.07 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.655 ' CD2' HG21 ' A' ' 99' ' ' VAL . 6.6 mt -76.58 -37.61 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -62.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.587 ' HA ' HD12 ' A' ' 95' ' ' LEU . 27.4 t70 -53.35 -38.54 63.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -60.99 -45.8 93.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.45 -35.62 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 92' ' ' ASP . 16.9 mt -70.0 -18.67 63.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -86.38 -9.76 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 70.16 7.34 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.579 ' NZ ' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -153.47 156.22 37.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.655 HG21 ' CD2' ' A' ' 90' ' ' LEU . 10.9 p -156.24 149.65 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.581 HG13 ' HG3' ' A' ' 18' ' ' GLU . 72.7 t -116.89 125.9 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.794 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.9 141.57 47.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -123.09 112.76 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.9 t -100.22 151.5 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.676 ' HB2' HD11 ' A' ' 71' ' ' LEU . 35.6 tt0 -110.57 145.54 37.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.493 ' O ' HG22 ' A' ' 14' ' ' THR . 17.1 p90 178.39 158.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -99.4 93.86 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -50.25 113.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 125.58 152.3 8.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.07 37.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 80.6 p -149.36 148.44 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.76 86.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.33 165.77 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.947 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 m 60.37 113.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.83 106.28 3.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.6 167.14 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.98 108.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.31 86.61 0.83 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.15 173.34 22.49 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.83 155.64 16.17 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -72.25 152.91 41.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.327 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 pt -75.42 166.85 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -160.86 128.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -143.79 -63.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.418 ' CG2' ' HG2' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -100.61 152.75 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.439 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -97.01 160.32 14.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.475 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -127.49 131.83 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.596 ' CG ' HG13 ' A' ' 100' ' ' VAL . 31.3 tt0 -97.91 114.15 26.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.797 ' CG1' HD13 ' A' ' 21' ' ' LEU . 3.3 t -103.69 132.49 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.46 97.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.797 HD13 ' CG1' ' A' ' 19' ' ' VAL . 2.0 mp -90.66 132.35 35.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -121.65 152.55 39.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 -167.04 37.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 166.89 10.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -14.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mt -101.03 -51.16 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -72.33 -30.46 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.7 -141.09 26.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 94' ' ' ALA . 12.3 m-85 -117.57 -92.58 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.815 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 147.21 64.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.088 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.868 HD21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -155.18 137.95 15.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -120.1 124.94 47.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 70' ' ' VAL . 25.4 mt -86.81 160.69 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -140.85 111.4 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.06 -156.84 7.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -43.85 142.32 2.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.16 -38.32 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -87.46 153.05 21.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.82 -36.84 10.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.0 p -82.74 80.36 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.79 123.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 82' ' ' THR . 48.6 m -46.06 157.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.792 HD11 ' HA ' ' A' ' 83' ' ' MET . 24.0 mt -102.98 119.15 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m -88.87 -18.64 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.8 p -134.41 157.03 78.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -75.03 136.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.01 146.47 32.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -95.43 166.86 11.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG11 ' CD1' ' A' ' 52' ' ' ILE . 24.7 t -75.45 87.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' GLN . 4.3 t -46.7 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 5.8 t80 -145.66 167.92 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.587 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 13.7 mt -137.43 146.45 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.65 139.31 35.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.406 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.3 Cg_endo -74.98 132.58 15.61 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 2.4 t0 74.81 6.31 4.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.51 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.02 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.431 1.753 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -57.5 -23.51 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -87.11 -43.15 12.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -55.27 -18.23 5.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.788 ' SG ' HG13 ' A' ' 19' ' ' VAL . 15.9 m -62.96 -25.81 68.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.32 -61.07 0.6 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.009 HD13 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.82 -27.62 66.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.009 ' N ' HD13 ' A' ' 63' ' ' LEU . 3.8 tp -72.3 136.76 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -167.89 150.32 5.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 10.4 t -43.4 128.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.39 35.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 3.2 m-20 -74.57 129.31 37.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.732 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -80.71 169.14 18.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.553 HG21 HD21 ' A' ' 33' ' ' LEU . 90.1 t -139.44 88.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.562 HD11 ' CG ' ' A' ' 104' ' ' GLU . 53.7 mt -54.09 -63.7 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 p -127.64 167.6 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 33' ' ' LEU . 96.7 mt -134.56 111.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.45 ' ND2' HG23 ' A' ' 99' ' ' VAL . 1.0 OUTLIER 75.55 3.18 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.56 -1.1 23.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.7 mm -104.54 126.27 59.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.763 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.54 130.46 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 50.1 p -72.54 -14.75 61.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -84.01 -19.64 34.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -94.07 43.02 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -177.15 -171.09 40.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 42' ' ' THR . 28.6 p -102.1 159.72 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.792 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -42.75 -64.46 0.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.3 tt0 -45.0 -58.96 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -38.99 -45.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -58.2 -49.09 78.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' GLU . 13.1 m-80 -63.47 -45.49 90.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 tp60 -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 89' ' ' LEU . 11.8 mt -49.05 -32.25 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.868 HD11 HD21 ' A' ' 31' ' ' LEU . 3.1 mt -74.23 -37.27 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -56.5 -59.07 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.08 -41.35 83.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.546 ' O ' ' HB3' ' A' ' 96' ' ' ALA . . . -57.13 -50.01 74.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . . . -51.62 -40.55 60.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 86.9 mt -62.2 -21.3 65.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -81.11 -20.87 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 96' ' ' ALA . 2.3 m170 85.25 -4.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.563 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 152.06 31.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.481 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 8.2 p -156.42 151.61 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.596 HG13 ' CG ' ' A' ' 18' ' ' GLU . 98.9 t -113.71 129.83 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.43 ' CD2' HG12 ' A' ' 73' ' ' ILE . 54.2 mt -117.72 143.96 45.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -122.61 113.77 19.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 69' ' ' ARG . 5.5 t -101.68 161.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.562 ' CG ' HD11 ' A' ' 71' ' ' LEU . 6.6 tt0 -132.44 112.86 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.473 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 2.6 p90 -146.12 167.55 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.7 9.39 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.02 99.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.95 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -122.42 -160.04 10.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.19 5.14 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.5 m -73.75 133.8 43.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.88 123.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -173.06 105.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.961 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -152.27 129.34 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.89 -89.76 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.437 1.086 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -46.19 161.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.69 -59.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.99 -102.62 0.69 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.05 -149.06 19.31 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.3 122.77 1.23 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -100.59 148.01 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 110.259 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp 63.03 142.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.59 140.03 42.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.42 109.56 22.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.9 m 56.85 166.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.4 mp0 -100.15 154.11 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -143.5 151.92 40.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.8 t -126.69 150.34 49.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.633 ' HG3' HG13 ' A' ' 100' ' ' VAL . 7.1 tt0 -112.8 117.69 32.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.482 ' O ' HD22 ' A' ' 101' ' ' LEU . 59.6 t -105.22 129.5 57.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 100' ' ' VAL . 85.4 t -114.37 120.61 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 58' ' ' ALA . 77.4 mt -117.04 144.9 44.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -127.74 112.94 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.07 -174.95 17.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.69 164.3 19.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.998 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -74.97 -22.21 15.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.52 -54.86 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -74.46 -7.89 54.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.87 -138.73 44.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 10.9 m-85 -115.75 -87.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.694 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.45 66.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 2.6 pp -161.12 134.51 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.797 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -113.31 131.88 55.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.825 HD21 HG21 ' A' ' 70' ' ' VAL . 39.8 mt -93.95 159.26 15.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 tt0 -139.86 114.88 9.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.87 6.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.5 157.3 0.48 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mt -67.18 -51.44 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -82.81 136.37 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -80.2 -44.4 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.4 p -68.47 78.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.47 139.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 m -57.1 160.84 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.774 HD11 ' HA ' ' A' ' 83' ' ' MET . 45.2 mt -109.02 119.49 39.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -25.78 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.434 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 1.5 p -134.37 161.7 62.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.4 Cg_endo -74.97 139.94 24.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.02 139.38 24.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.808 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -91.21 164.46 13.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 52' ' ' ILE . 27.0 t -75.15 95.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.47 -52.66 62.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 108.281 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 6.1 t80 -153.01 167.33 29.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 17.4 mt -136.83 147.18 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.0 OUTLIER -79.06 138.39 56.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.4 Cg_endo -74.95 122.26 7.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER 76.34 17.18 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -83.22 177.69 2.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.029 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.95 -43.15 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.993 ' HB1' HD22 ' A' ' 64' ' ' LEU . . . -58.91 -31.75 68.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 10.3 tp10 -83.08 -37.98 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -53.0 -39.13 62.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.9 m -63.07 -29.17 70.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 108.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.96 -53.07 2.95 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' GLY . 5.9 mt -38.1 -52.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.993 HD22 ' HB1' ' A' ' 58' ' ' ALA . 1.1 tp -67.31 143.14 56.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 2.0 mt-30 -168.34 163.42 12.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.65 129.92 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.5 -30.13 9.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.64 173.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.808 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -128.15 122.16 31.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.825 HG21 HD21 ' A' ' 33' ' ' LEU . 69.4 t -91.24 113.5 26.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 104' ' ' GLU . 19.3 mt -80.15 -54.92 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.6 p -142.38 167.42 22.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.779 HG21 ' CD2' ' A' ' 90' ' ' LEU . 63.5 mt -129.52 111.53 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 68.33 13.43 9.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.0 4.23 41.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 89' ' ' LEU . 3.2 mm -99.98 111.43 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.36 115.08 5.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.0 p -61.46 -16.46 47.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' A' ' 45' ' ' SER . 3.7 mm-40 -82.01 -16.52 49.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -102.57 24.73 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.22 -162.21 11.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 p -112.82 154.41 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.774 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.32 -61.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.555 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -44.11 -56.0 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.91 -55.4 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.14 -49.19 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.452 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.5 m-80 -63.6 -50.24 70.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -50.59 -34.6 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.566 HD11 HG21 ' A' ' 76' ' ' ILE . 17.0 mt -64.18 -48.14 77.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.779 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -56.81 -28.73 61.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.28 -55.4 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.614 ' HA ' HD12 ' A' ' 95' ' ' LEU . 1.6 t0 -60.22 -37.76 81.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.591 ' CB ' HG23 ' A' ' 99' ' ' VAL . . . -60.19 -37.21 79.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.998 HD23 ' HB3' ' A' ' 25' ' ' PRO . 14.3 mt -65.42 -12.98 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.5 -10.71 23.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 67.68 9.55 7.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.629 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.95 140.33 19.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.591 HG23 ' CB ' ' A' ' 93' ' ' ALA . 9.2 p -143.62 161.57 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.4 t -134.57 123.94 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -112.74 153.26 28.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -127.95 112.61 14.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.98 151.02 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.595 ' HB2' HD11 ' A' ' 71' ' ' LEU . 3.1 tt0 -114.18 144.17 43.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -175.71 159.44 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -99.1 10.89 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 p 62.21 97.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 162.25 -146.8 12.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.37 41.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.17 107.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.92 151.44 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.76 163.13 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.973 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -132.73 -58.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.62 -175.62 0.17 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.6 154.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.5 -56.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.97 -109.53 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.32 -159.9 9.24 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.08 123.9 1.26 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -101.74 152.86 20.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 mt -93.12 131.65 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.524 HG22 ' H ' ' A' ' 13' ' ' HIS . 4.7 p -167.65 171.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.524 ' H ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER 62.79 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.637 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 105' ' ' PHE . 5.5 m -94.76 170.96 9.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -99.31 152.41 19.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 p -135.05 145.42 47.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -127.56 137.91 52.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.624 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.4 tt0 -103.69 116.26 32.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.453 HG12 HD23 ' A' ' 101' ' ' LEU . 52.3 t -101.13 137.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.6 t -120.95 109.26 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HB2' HG12 ' A' ' 99' ' ' VAL . 43.7 mt -105.5 144.94 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.92 113.17 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.317 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.74 -177.99 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.33 166.57 22.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.553 0.796 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.852 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -75.05 -24.31 12.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.36 -47.34 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 t -76.6 -3.05 35.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.14 -116.92 4.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.486 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 20.3 m-85 -136.66 -87.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.63 64.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -161.82 132.47 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -110.3 137.88 47.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 70' ' ' VAL . 45.7 mt -99.63 151.72 20.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.654 ' OE1' HD12 ' A' ' 48' ' ' LEU . 1.7 tt0 -128.22 122.6 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.16 -150.73 5.95 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.38 162.56 6.34 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.4 -47.84 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -74.91 94.17 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 84' ' ' GLU . . . -42.01 -57.62 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -63.54 82.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.564 ' C ' HG22 ' A' ' 82' ' ' THR . 1.2 mm-40 175.31 130.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.466 ' N ' HG22 ' A' ' 82' ' ' THR . 23.0 m -52.89 158.48 1.38 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.769 HD11 ' HA ' ' A' ' 83' ' ' MET . 80.3 mt -109.98 113.44 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.5 m -70.69 -25.61 63.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.65 163.52 50.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.04 140.9 25.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.99 139.04 23.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.443 1.759 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.818 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -90.0 163.72 14.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 52' ' ' ILE . 44.8 t -75.02 91.27 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 34' ' ' GLN . 1.8 t -50.56 -61.08 2.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 11.9 t80 -145.38 169.59 18.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.826 HD11 HG11 ' A' ' 49' ' ' VAL . 94.7 mt -139.12 144.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.8 OUTLIER -77.07 137.44 65.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.2 Cg_endo -75.03 124.66 8.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 54' ' ' PRO . 4.2 t0 76.73 12.22 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.64 178.02 2.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.93 -44.19 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -55.86 -37.05 68.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -78.81 -36.84 42.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -54.46 -38.72 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.66 -28.84 70.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.33 -52.36 3.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -44.49 -35.91 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.24 127.84 32.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 6.8 mt-30 -156.39 165.72 35.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.46 135.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.33 -31.76 8.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 48.9 m-20 -46.22 139.03 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.818 ' HG3' HD23 ' A' ' 48' ' ' LEU . 1.5 mpp_? -98.04 124.86 42.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 33' ' ' LEU . 24.3 t -94.95 111.12 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 104' ' ' GLU . 31.2 mt -78.88 -57.56 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 25.1 p -135.07 168.3 19.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.767 HG22 ' OD1' ' A' ' 74' ' ' ASN . 72.2 mt -139.8 113.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.811 HD21 HG23 ' A' ' 99' ' ' VAL . 1.8 m120 75.91 2.82 3.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.4 -2.38 23.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 13.0 mm -101.16 128.95 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.7 131.0 40.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.407 HG21 HG12 ' A' ' 70' ' ' VAL . 38.7 p -70.18 -33.99 72.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.27 -15.33 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -106.83 38.97 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.51 -169.62 33.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.564 HG22 ' C ' ' A' ' 41' ' ' GLU . 23.5 p -108.13 152.08 25.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.769 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -37.92 -57.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.509 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -47.08 -60.69 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -38.78 -48.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -56.05 -51.59 67.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.422 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 23.8 m-20 -62.38 -46.24 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -58.32 -44.28 88.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 86' ' ' ALA . 19.8 mt -53.73 -34.71 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.668 ' CD2' HG21 ' A' ' 99' ' ' VAL . 3.3 mt -72.14 -30.72 65.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -58.93 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -58.66 -46.87 86.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.57 -45.29 26.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.79 90.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.852 HD23 ' HB3' ' A' ' 25' ' ' PRO . 85.8 mt -62.5 -14.7 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.16 -7.84 34.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 66.29 12.35 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.643 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.23 143.65 22.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.811 HG23 HD21 ' A' ' 74' ' ' ASN . 7.8 p -145.18 148.57 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.624 HG13 ' HG3' ' A' ' 18' ' ' GLU . 78.5 t -119.62 124.49 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.784 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -118.43 137.28 53.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.5 113.38 21.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -103.61 150.64 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.804 ' HB2' HD11 ' A' ' 71' ' ' LEU . 8.4 tt0 -112.9 143.25 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.48 ' O ' HG22 ' A' ' 14' ' ' THR . 10.3 p90 179.59 168.23 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.03 113.08 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.4 t -67.66 103.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.83 147.44 4.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.69 18.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.6 m -126.01 154.81 42.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.8 p -123.11 147.21 47.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.84 104.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.039 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.55 78.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.72 -74.79 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.58 93.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.31 143.98 49.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.63 -178.56 48.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.55 -93.44 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.53 -166.75 29.93 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.74 170.93 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.55 153.4 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.3 t -136.34 136.49 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -73.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -128.53 157.21 41.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.437 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 16' ' ' THR . 6.6 mt-10 -100.57 161.33 13.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 15' ' ' GLU . 2.1 p -153.39 152.02 30.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -127.4 138.65 53.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.58 ' CG ' HG13 ' A' ' 100' ' ' VAL . 26.2 tt0 -94.46 117.95 30.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.543 HG13 ' SG ' ' A' ' 61' ' ' CYS . 98.8 t -102.79 120.84 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t -111.43 115.6 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.4 mt -112.46 146.92 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.6 115.46 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 108.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.83 179.71 22.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.46 166.39 21.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.601 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.04 -22.86 14.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mt -90.94 -46.08 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.81 0.1 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 47.14 -118.92 4.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' HG11 ' A' ' 99' ' ' VAL . 10.7 m-85 -131.56 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.647 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 149.26 60.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD21 HD11 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.71 138.88 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -116.25 130.01 56.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 70' ' ' VAL . 48.1 mt -91.9 154.31 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 4.7 tt0 -127.97 113.71 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.73 -145.78 4.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.44 159.19 5.4 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.2 -47.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -76.46 129.13 36.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.56 -36.4 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -77.7 -167.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.88 115.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 m -54.63 159.88 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 83' ' ' MET . 83.0 mt -98.84 115.29 28.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.98 -26.62 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.37 163.24 52.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.0 139.22 24.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.03 140.78 25.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.873 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -92.36 162.32 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 52' ' ' ILE . 41.1 t -71.92 91.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -54.14 -52.72 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.3 t80 -153.35 167.56 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 28.4 mt -137.0 143.85 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.4 mt-10 -76.72 142.76 70.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.2 Cg_endo -75.0 134.29 17.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t0 64.58 12.7 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -79.67 178.22 2.46 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.01 -44.24 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.456 1.766 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.11 -26.24 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.31 -43.3 13.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -52.01 -29.97 23.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.543 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -63.51 -29.17 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.319 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.51 -60.16 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -41.24 -42.13 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.29 144.88 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -169.7 161.02 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.6 t -53.88 136.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.49 -32.72 6.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -47.56 172.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.873 ' HG3' HD23 ' A' ' 48' ' ' LEU . 4.4 mpp_? -128.99 130.92 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.479 HG21 HD21 ' A' ' 33' ' ' LEU . 45.1 t -100.3 107.38 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 ' HG3' ' A' ' 104' ' ' GLU . 24.7 mt -76.67 -58.88 3.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 6.4 p -139.84 157.75 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.853 HG23 HD23 ' A' ' 101' ' ' LEU . 52.5 mt -127.75 117.13 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.2 12.22 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 -3.32 42.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 72' ' ' SER . 16.9 mm -95.05 126.98 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.88 127.35 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.428 HG21 HG12 ' A' ' 70' ' ' VAL . 27.8 p -67.39 -24.2 65.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.15 -11.98 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -104.8 37.92 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.07 169.84 41.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.5 p -87.42 169.11 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.354 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.609 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.0 tpt -46.3 -46.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.09 -56.02 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.0 -49.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.48 -59.19 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -54.25 -42.39 69.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -63.62 -42.56 98.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.66 -34.2 73.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 31' ' ' LEU . 4.6 mt -73.39 -25.55 60.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -70.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -44.31 -41.54 6.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -56.41 -47.53 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.8 85.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 25' ' ' PRO . 40.0 mt -62.98 -13.82 39.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -97.05 -8.16 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 66.18 10.36 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.41 141.64 20.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.516 HG11 ' CE2' ' A' ' 29' ' ' PHE . 10.6 p -144.99 163.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.58 HG13 ' CG ' ' A' ' 18' ' ' GLU . 57.5 t -140.14 131.29 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.853 HD23 HG23 ' A' ' 73' ' ' ILE . 2.1 mt -126.95 151.59 48.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.34 113.4 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.69 149.79 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.646 ' HG3' HD11 ' A' ' 71' ' ' LEU . 3.1 tt0 -111.09 142.74 42.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -174.69 172.93 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -113.5 11.62 18.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t 57.54 86.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.98 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 170.36 157.63 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 145.87 31.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.772 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.6 p -161.13 -62.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 m 59.88 97.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p -90.15 113.81 25.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -119.4 95.48 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.15 124.9 7.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -130.63 86.01 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.14 -58.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.94 128.94 1.02 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.41 -147.92 7.6 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.72 84.73 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 70.34 158.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 110.278 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.0 mt 63.61 131.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.26 144.12 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 2.5 t60 -72.92 81.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.481 HG21 ' HG2' ' A' ' 104' ' ' GLU . 2.0 m 79.35 174.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -120.76 171.16 8.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -144.15 141.47 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 t -124.96 131.7 53.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.617 ' HG3' HG13 ' A' ' 100' ' ' VAL . 24.7 tt0 -103.37 114.96 29.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.2 136.4 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.18 104.99 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 58' ' ' ALA . 14.2 mt -98.89 150.37 21.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 t -131.91 148.48 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.96 -175.29 45.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.462 1.102 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.59 166.7 14.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.846 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -74.96 -16.64 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -101.19 -47.75 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -26.35 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.27 -118.85 6.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -140.46 -89.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.756 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 150.62 65.04 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -160.78 131.0 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -111.78 133.67 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.638 HD21 HG21 ' A' ' 70' ' ' VAL . 40.6 mt -93.19 163.47 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 tt0 -140.5 111.12 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.87 -160.2 8.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.83 167.72 33.66 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 38' ' ' PHE . 46.8 mm -72.15 -93.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.467 ' N ' HG22 ' A' ' 37' ' ' ILE . 43.9 m-85 -44.05 112.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -64.67 -59.69 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 3.9 p -51.73 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 42' ' ' THR . 1.1 pt-20 163.24 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.72 ' CA ' HG22 ' A' ' 82' ' ' THR . 2.4 m 86.47 139.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 79' ' ' GLU . 44.8 mt -79.83 126.09 30.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -22.3 34.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.75 164.38 44.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.02 135.15 18.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.99 157.77 42.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.885 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -105.77 171.53 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.724 HG11 HD11 ' A' ' 52' ' ' ILE . 17.9 t -81.38 88.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.6 t -48.51 -60.26 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 15.1 t80 -143.9 170.84 15.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.724 HD11 HG11 ' A' ' 49' ' ' VAL . 48.0 mt -143.31 145.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 0.9 OUTLIER -77.89 138.4 61.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.13 11.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.88 7.27 4.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -74.92 178.32 1.83 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.4 Cg_endo -75.04 -41.54 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -62.07 -26.75 68.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -87.14 -34.29 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -61.4 -34.66 75.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.12 -28.56 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 75.59 -53.75 2.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.5 mt -39.21 -53.93 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 29.4 mt -61.5 153.52 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -179.24 163.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.58 121.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ASP . . . 115.37 -28.56 7.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 1.3 m-20 -47.93 173.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.981 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.4 mpp_? -127.78 154.37 45.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.638 HG21 HD21 ' A' ' 33' ' ' LEU . 93.7 t -125.56 106.74 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 104' ' ' GLU . 29.1 mt -75.32 -58.99 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 p -138.31 165.72 26.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.844 HG22 ' OD1' ' A' ' 74' ' ' ASN . 32.9 mt -134.2 119.63 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.844 ' OD1' HG22 ' A' ' 73' ' ' ILE . 11.1 m120 66.17 11.33 7.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.15 12.55 31.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 3.5 mm -115.33 119.57 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 80' ' ' ASP . . . -67.79 123.75 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -62.43 -26.03 68.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.7 mp0 -74.93 -32.35 61.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -69.08 -22.08 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.51 -176.27 14.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.72 HG22 ' CA ' ' A' ' 42' ' ' THR . 13.3 p -99.04 177.37 5.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.456 ' SD ' ' ND2' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -52.31 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.56 -41.77 4.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -44.86 91.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.05 -60.32 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.456 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 17.9 m-80 -51.02 -48.39 61.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.18 -45.95 75.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.63 -40.22 71.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 99' ' ' VAL . 1.5 mt -63.37 -41.18 98.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 95' ' ' LEU . 20.8 t0 -49.59 -46.55 49.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.553 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -49.24 -50.53 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.72 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.846 HD23 ' HB3' ' A' ' 25' ' ' PRO . 30.5 mt -62.17 -14.87 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -97.76 -5.39 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 65.91 10.75 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' CD ' ' N ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -153.33 159.1 42.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.558 HG21 HD23 ' A' ' 90' ' ' LEU . 9.9 p -159.86 159.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.617 HG13 ' HG3' ' A' ' 18' ' ' GLU . 53.3 t -129.91 129.38 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.781 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.77 137.7 53.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -117.85 111.03 18.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.981 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.8 t -101.78 155.78 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.638 ' HB2' HD11 ' A' ' 71' ' ' LEU . 22.3 tt0 -119.52 138.37 53.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -176.52 159.85 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -86.94 112.05 21.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.38 83.77 3.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -133.01 -173.04 13.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 78.48 2.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.6 t -40.48 153.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.3 p -46.44 114.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.033 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.81 131.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.978 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.91 93.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.95 -172.74 43.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -44.79 163.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.784 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.13 116.71 13.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.36 -85.39 1.74 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.138 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.41 142.67 15.66 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.83 149.45 0.33 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -145.4 96.26 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.7 mt 63.55 149.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -135.32 93.13 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -127.88 158.93 36.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -88.85 152.26 21.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.4 p -147.96 136.34 21.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 t -111.4 133.97 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.715 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.1 tt0 -105.58 130.41 53.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.595 HG11 ' SG ' ' A' ' 61' ' ' CYS . 75.3 t -126.6 131.91 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.03 97.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 1.3 mp -85.6 148.9 25.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.13 107.87 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.9 -178.33 15.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -95.23 166.74 14.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.735 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -75.01 -44.44 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.33 -49.13 36.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -31.76 64.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 24' ' ' ASP . . . 74.97 -122.33 6.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 41.3 m-85 -130.69 -88.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.771 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 145.61 58.97 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD21 HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -149.2 145.01 26.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -124.12 129.21 50.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.619 HD11 HD11 ' A' ' 73' ' ' ILE . 26.5 mt -90.99 155.57 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.1 tt0 -132.57 115.13 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.76 -141.41 3.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.33 167.18 5.0 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 mp -79.28 -49.45 19.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 0.78 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -77.1 165.18 24.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.11 -49.31 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 p -74.22 78.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.607 ' C ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -175.48 128.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.446 ' N ' HG22 ' A' ' 82' ' ' THR . 3.2 m -58.69 159.19 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.553 HD11 ' HA ' ' A' ' 83' ' ' MET . 94.4 mt -106.56 120.07 40.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -23.88 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.17 163.32 52.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.99 21.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.11 31.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.841 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -96.37 166.18 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.419 HG21 ' CD2' ' A' ' 64' ' ' LEU . 51.6 t -75.6 94.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.63 -55.69 26.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.7 t80 -148.87 171.04 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.602 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 9.8 mt -141.57 139.28 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -75.37 143.11 75.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.3 Cg_endo -75.03 141.35 26.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.09 15.45 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.53 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.56 179.76 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.53 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -75.01 -47.44 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -52.1 -25.45 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.7 tp10 -91.99 -46.23 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -51.11 -29.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.595 ' SG ' HG11 ' A' ' 19' ' ' VAL . 4.3 t -63.0 -28.12 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . 68.57 -58.98 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -51.54 -33.67 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -83.57 131.28 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -161.11 159.73 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.62 130.71 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.26 -35.91 4.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.56 144.9 5.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.841 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -96.67 148.27 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 73' ' ' ILE . 30.9 t -121.25 98.45 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 104' ' ' GLU . 67.0 mt -67.08 -61.25 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.4 p -129.71 168.06 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.619 HD11 HD11 ' A' ' 33' ' ' LEU . 97.9 mt -137.64 112.31 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.593 HD22 ' HB2' ' A' ' 93' ' ' ALA . 1.2 t-20 76.85 2.07 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 2.15 24.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.06 123.18 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.42 140.56 58.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -83.55 -33.79 25.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.41 -11.97 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -108.39 32.84 4.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -162.85 -169.27 26.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.607 HG22 ' C ' ' A' ' 41' ' ' GLU . 16.6 p -108.38 164.17 12.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.553 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.3 tpt -46.69 -63.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.9 -56.28 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.47 -45.04 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -60.15 -54.01 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -59.75 -39.64 85.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -67.16 -44.1 80.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.71 -38.23 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.618 HD11 HD21 ' A' ' 31' ' ' LEU . 6.8 mt -66.99 -33.96 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.7 OUTLIER -61.24 -68.9 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' HA ' HD12 ' A' ' 95' ' ' LEU . 16.9 t0 -43.48 -40.07 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HB2' HD22 ' A' ' 74' ' ' ASN . . . -59.71 -47.14 86.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -57.02 -43.64 82.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 25' ' ' PRO . 19.0 mt -63.08 -15.79 57.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -97.62 -8.31 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 63.95 19.0 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.556 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.67 150.48 28.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.532 HG21 HD23 ' A' ' 90' ' ' LEU . 8.6 p -161.75 146.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.715 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.5 t -116.0 123.94 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.777 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.38 129.81 55.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -117.14 110.8 18.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.4 t -96.79 155.46 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.581 ' HB2' HD11 ' A' ' 71' ' ' LEU . 19.8 tt0 -114.13 140.17 48.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.1 p90 179.84 176.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.42 99.49 6.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.0 t -68.96 79.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -155.77 -144.57 3.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.155 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.5 38.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.5 p -139.98 172.68 12.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.79 -56.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.2 165.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -78.07 116.9 18.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.04 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.92 149.01 9.64 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -70.8 96.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -139.87 146.39 39.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.18 84.61 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.23 96.32 1.13 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.07 -93.4 0.96 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.67 102.95 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.8 132.81 43.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 12' ' ' VAL . 9.6 p -96.05 113.64 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -152.01 111.55 3.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 m 55.75 168.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 16' ' ' THR . 1.5 mp0 -91.16 171.18 9.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 15' ' ' GLU . 3.6 p -154.66 140.84 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -126.34 137.53 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 100' ' ' VAL . 30.7 tt0 -96.16 118.65 33.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG11 HD12 ' A' ' 64' ' ' LEU . 58.8 t -110.79 117.98 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 100' ' ' VAL . 77.8 t -103.64 104.43 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 58' ' ' ALA . 47.8 mt -97.69 142.17 29.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.05 114.28 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.88 176.39 23.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.2 m-20 -82.14 161.37 60.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.936 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.4 Cg_endo -74.93 -19.31 18.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.97 -51.49 7.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.04 -17.29 47.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' ASP . . . 75.51 -121.59 6.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CZ ' ' HB ' ' A' ' 99' ' ' VAL . 27.3 m-85 -130.81 4.82 4.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 56.29 57.03 21.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -148.49 151.07 34.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' CYS . 1.8 mm100 -131.62 129.17 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 71.6 mt -95.63 157.22 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 tt0 -133.92 113.82 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.01 -156.99 7.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.88 163.87 0.65 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.23 -48.87 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -71.88 95.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.34 -38.58 28.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.1 p -84.07 75.36 10.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.686 ' C ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -178.27 128.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.622 ' N ' HG22 ' A' ' 82' ' ' THR . 16.7 m -44.78 159.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.444 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.735 HD11 ' HA ' ' A' ' 83' ' ' MET . 34.7 mt -108.77 115.7 30.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -76.5 -23.99 53.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.62 162.83 55.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -74.98 140.44 25.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.04 140.94 25.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.546 1.813 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.535 ' CD2' ' HG3' ' A' ' 69' ' ' ARG . 1.4 mt -96.7 170.73 8.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 HD11 ' A' ' 52' ' ' ILE . 42.3 t -82.67 93.64 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.4 t -52.85 -54.35 35.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 9.8 t80 -151.76 170.67 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.689 HD11 HG11 ' A' ' 49' ' ' VAL . 97.5 mt -139.58 140.88 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 3.0 mt-10 -77.16 138.86 64.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 131.62 14.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.428 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 2.1 t70 72.07 9.08 6.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -80.47 179.19 1.98 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.99 -43.95 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -61.0 -23.85 65.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -90.45 -35.5 15.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.428 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -54.19 -32.5 55.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -64.05 -28.3 69.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.86 -58.59 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.723 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -47.33 -29.84 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.468 HD12 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -82.63 128.98 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.09 152.99 31.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 49' ' ' VAL . 18.3 t -45.15 135.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 112.04 -40.35 2.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 3.3 m-20 -40.8 139.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' CD2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -97.38 129.5 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 54.8 t -97.25 114.74 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.655 HD11 ' HG3' ' A' ' 104' ' ' GLU . 17.3 mt -82.46 -56.62 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 p -137.82 171.38 14.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.774 HG21 ' CD2' ' A' ' 90' ' ' LEU . 90.6 mt -134.07 113.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 68.78 10.06 7.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.17 2.61 33.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' ILE . 4.4 mm -100.26 128.1 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 125.49 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -73.19 -19.84 61.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.88 -18.04 54.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -99.38 25.0 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' THR . . . -158.18 -168.43 20.44 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.686 HG22 ' C ' ' A' ' 41' ' ' GLU . 17.4 p -105.92 159.62 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.735 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -44.5 -59.99 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -57.79 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.55 -55.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.88 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 23.5 m-20 -63.07 -48.37 78.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -52.27 -35.47 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.32 -47.33 82.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.774 ' CD2' HG21 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -57.65 -33.81 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -67.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -52.85 -29.8 30.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.67 61.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.92 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.936 HD23 ' HB3' ' A' ' 25' ' ' PRO . 29.2 mt -66.57 -13.41 61.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.78 -19.93 19.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 1.5 m170 79.43 12.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.573 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -152.66 141.73 21.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.58 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 9.3 p -153.18 137.71 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 20' ' ' VAL . 39.5 t -109.92 142.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 100' ' ' VAL . 2.6 mt -136.41 151.75 49.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.48 111.28 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.4 t -93.12 158.94 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.655 ' HG3' HD11 ' A' ' 71' ' ' LEU . 2.4 tt0 -123.34 135.33 54.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -174.75 -178.17 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -113.69 109.31 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.3 t -74.0 92.65 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.026 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -131.51 -171.33 12.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.5 t 57.06 104.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.7 t -39.75 121.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.95 150.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.988 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 p -165.64 159.38 16.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.99 116.63 1.27 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -164.86 149.93 9.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.92 142.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.83 -175.11 38.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.0 -127.13 8.79 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.37 -155.96 21.79 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 54.63 101.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -102.74 173.7 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.53 143.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -48.97 -58.43 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.584 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.567 HG21 ' HG2' ' A' ' 104' ' ' GLU . 61.5 m -63.44 172.46 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.442 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 14' ' ' THR . 66.2 mm-40 -105.96 178.47 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 1.0 OUTLIER -147.16 138.86 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.651 HG21 HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -125.01 135.23 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.655 ' HG3' HG13 ' A' ' 100' ' ' VAL . 18.7 tt0 -105.16 119.65 39.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.06 140.56 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -120.79 101.44 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' A' ' 58' ' ' ALA . 54.1 mt -93.05 144.48 25.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -129.08 112.84 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 108.329 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.75 -176.19 15.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.57 163.14 21.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.756 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.94 -14.78 21.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.46 -50.12 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.68 6.16 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 44.53 -125.69 6.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 30.6 m-85 -126.19 -86.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.732 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 148.3 69.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -164.57 141.28 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.75 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -117.96 131.4 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 73' ' ' ILE . 24.2 mt -93.94 153.67 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 3.9 tt0 -139.35 111.91 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' CA ' ' SD ' ' A' ' 83' ' ' MET . . . -156.68 139.53 6.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.71 -160.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.485 ' CG1' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -125.06 -77.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' N ' ' CG1' ' A' ' 37' ' ' ILE . 84.5 m-85 -51.6 127.63 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.15 75.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 -168.2 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 mt-10 77.72 -145.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -145.58 155.86 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 83' ' ' MET . 37.0 mt -94.0 114.17 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -82.34 -24.5 34.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.67 163.88 48.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.2 Cg_endo -75.08 138.5 22.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.4 Cg_endo -75.0 138.52 23.12 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.514 HD21 ' CD ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -87.06 165.24 15.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.683 HG11 HD11 ' A' ' 52' ' ' ILE . 28.1 t -77.29 86.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.1 t -45.41 -62.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 10.2 t80 -138.89 170.46 15.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.683 HD11 HG11 ' A' ' 49' ' ' VAL . 7.2 mt -140.73 143.93 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 1.8 mt-10 -77.6 144.11 68.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 53' ' ' GLU . 18.3 Cg_endo -75.01 132.62 15.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 63.16 13.73 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -75.47 175.55 4.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -40.53 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 110.968 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.42 -30.03 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.7 tp10 -88.89 -40.47 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -50.19 -41.09 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 24.9 m -63.54 -29.67 70.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 108.369 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 63' ' ' LEU . . . 78.85 -47.33 3.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.651 HD12 HG21 ' A' ' 17' ' ' THR . 1.4 mm? -37.9 -58.7 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 20.8 mt -62.24 154.08 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 2.5 mt-30 -178.3 162.5 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.4 t -63.45 125.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 18.83 24.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 65' ' ' GLN . 4.5 m-20 -107.66 120.06 41.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' CD ' HD21 ' A' ' 48' ' ' LEU . 1.7 mtt180 -76.15 141.93 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 33' ' ' LEU . 28.2 t -109.17 99.77 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.477 HD11 ' CG ' ' A' ' 104' ' ' GLU . 55.5 mt -57.61 -61.61 2.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 p -134.08 166.69 22.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.496 HD11 HD11 ' A' ' 33' ' ' LEU . 73.0 mt -135.91 112.62 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.557 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.2 t-20 76.64 1.83 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.2 -0.06 23.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.6 mm -104.26 127.03 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.6 128.01 34.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.9 p -68.18 -23.3 64.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 61.0 mt-10 -71.1 -14.69 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -108.38 48.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.76 -159.59 21.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 41' ' ' GLU . 1.4 p -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.702 ' HA ' HD11 ' A' ' 43' ' ' LEU . 9.5 tpt -64.38 -44.56 90.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -53.36 55.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -51.31 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.54 -44.33 56.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -69.92 -39.31 76.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -64.9 -40.5 95.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.0 mt -56.45 -35.42 67.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.834 HD23 HG21 ' A' ' 99' ' ' VAL . 3.8 mt -69.92 -33.79 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -61.7 -67.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -44.88 -42.14 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.557 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -57.91 -41.81 83.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' ARG . . . -58.37 -35.54 72.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.756 HD23 ' HB3' ' A' ' 25' ' ' PRO . 27.7 mt -70.31 -14.09 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.69 -20.15 21.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 4.6 m170 79.4 6.01 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.614 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' HE2' HG23 ' A' ' 100' ' ' VAL . 4.7 tttt -153.13 137.99 17.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.834 HG21 HD23 ' A' ' 90' ' ' LEU . 10.9 p -141.1 143.27 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 18' ' ' GLU . 40.9 t -111.92 127.88 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.797 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -119.74 145.82 46.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -125.03 115.68 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 16' ' ' THR . 2.6 t -103.35 157.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.567 ' HG2' HG21 ' A' ' 14' ' ' THR . 7.4 tt0 -122.83 118.11 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 5.8 p90 -159.08 167.51 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -100.23 117.83 35.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.7 t -83.36 66.11 8.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -142.32 -170.29 12.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 150.26 37.79 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m 62.13 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 p -134.0 124.7 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.85 88.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.42 104.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.22 103.78 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -137.87 87.97 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -98.2 147.84 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.83 -128.43 1.52 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.16 -173.09 16.1 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.1 140.55 16.38 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.95 156.9 26.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.7 mt 63.5 151.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -166.32 151.56 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.59 113.85 26.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.486 HG21 ' CD ' ' A' ' 104' ' ' GLU . 2.6 m 66.48 169.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -114.2 147.91 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -132.98 136.8 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 t -115.42 141.18 48.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.638 ' HG3' HG13 ' A' ' 100' ' ' VAL . 22.3 tt0 -104.66 120.41 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.466 HG13 ' SG ' ' A' ' 61' ' ' CYS . 78.9 t -106.83 156.74 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.64 97.41 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -85.58 135.32 33.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -120.18 144.18 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.63 -175.92 45.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 167.24 10.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.771 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.3 Cg_endo -74.99 -13.38 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -104.97 -45.07 4.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 t -80.47 -8.17 59.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.4 -148.59 6.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 10.9 m-85 -108.34 -90.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 111.039 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.791 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 144.26 76.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD21 HD11 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -166.68 137.83 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -114.41 137.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 46.5 mt -107.44 150.67 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -127.51 113.88 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.241 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.89 -155.62 6.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.7 -178.17 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' PHE . 17.8 mm -94.53 -81.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' ILE . 93.9 m-85 -37.36 98.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.45 -44.31 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.2 p -87.21 85.14 7.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.727 ' C ' HG22 ' A' ' 82' ' ' THR . 1.3 mm-40 -175.79 129.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.434 ' N ' HG22 ' A' ' 82' ' ' THR . 97.4 m -51.3 155.9 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 83' ' ' MET . 70.6 mt -104.2 110.96 23.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.7 p -73.22 -23.53 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.4 163.57 50.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -74.96 139.8 24.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.01 144.49 30.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.66 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -96.63 162.63 13.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.643 HG11 HD11 ' A' ' 52' ' ' ILE . 10.1 t -79.05 82.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' VAL . 3.9 t -41.57 -61.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 52' ' ' ILE . 3.8 t80 -146.7 167.14 24.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.643 HD11 HG11 ' A' ' 49' ' ' VAL . 77.2 mt -133.9 142.66 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.48 138.58 63.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.85 20.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.1 7.4 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.502 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -81.92 178.82 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -44.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -57.97 -28.36 64.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.21 -40.91 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -25.03 61.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.466 ' SG ' HG13 ' A' ' 19' ' ' VAL . 5.2 t -63.37 -27.07 69.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.38 -57.84 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -39.54 71.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 133.85 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -159.59 176.36 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.9 t -69.0 136.92 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 72.65 42.42 47.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.507 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -94.78 -12.69 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HA ' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.55 113.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 74.7 t -97.03 116.46 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.802 HD11 ' HG3' ' A' ' 104' ' ' GLU . 15.6 mt -81.17 -56.16 4.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -146.27 167.02 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.517 HG22 ' OD1' ' A' ' 74' ' ' ASN . 60.4 mt -135.9 112.99 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.676 HD21 ' HB2' ' A' ' 93' ' ' ALA . 0.9 OUTLIER 69.43 15.53 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.98 5.34 53.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.6 HG21 HD11 ' A' ' 89' ' ' LEU . 3.2 mm -101.1 113.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.8 113.55 7.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 p -59.16 -29.33 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.46 -12.41 61.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -110.7 27.93 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.17 -171.96 21.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.727 HG22 ' C ' ' A' ' 41' ' ' GLU . 9.2 p -107.32 155.36 20.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.541 ' HA ' HD11 ' A' ' 43' ' ' LEU . 7.4 tpt -40.38 -57.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -58.29 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -41.99 -47.11 4.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -55.81 -50.99 69.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -64.28 -46.16 84.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -59.48 -36.63 76.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.6 HD11 HG21 ' A' ' 76' ' ' ILE . 30.2 mt -61.2 -38.5 86.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.786 HD11 HD21 ' A' ' 31' ' ' LEU . 4.1 mt -68.58 -37.46 79.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.519 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 3.2 mtt180 -59.55 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 95' ' ' LEU . 7.7 t0 -45.16 -52.66 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.676 ' HB2' HD21 ' A' ' 74' ' ' ASN . . . -47.39 -45.4 25.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -54.49 -41.43 69.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.771 HD23 ' HB3' ' A' ' 25' ' ' PRO . 23.5 mt -62.92 -15.71 56.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.86 -6.67 38.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 67.54 9.33 6.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.548 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.56 152.41 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.71 HG21 HD23 ' A' ' 90' ' ' LEU . 7.0 p -157.1 143.03 9.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.815 ' C ' HD13 ' A' ' 101' ' ' LEU . 22.9 t -112.52 131.42 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.815 HD13 ' C ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -117.22 162.21 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -137.62 111.61 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -102.99 156.82 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.802 ' HG3' HD11 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -119.98 143.46 48.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.423 ' O ' HG22 ' A' ' 14' ' ' THR . 7.0 p90 -178.54 166.54 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -104.97 107.94 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.8 t -75.17 79.34 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.14 -147.82 18.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 136.08 19.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.773 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 t -179.27 93.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.2 p -94.74 -41.48 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -171.59 153.77 3.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.043 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -62.07 153.95 28.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.25 149.05 18.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -170.71 151.75 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -169.95 124.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.66 -90.76 1.01 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.02 -173.59 38.37 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.06 -153.61 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -138.18 82.77 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 11' ' ' ILE . 27.2 mm 64.03 139.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 p -125.33 136.42 60.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -66.37 -62.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -127.9 156.82 42.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -88.78 149.8 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -131.79 134.96 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -125.16 144.37 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.766 ' HG3' HG13 ' A' ' 100' ' ' VAL . 25.9 tt0 -99.07 116.81 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.817 HG13 ' SG ' ' A' ' 61' ' ' CYS . 20.2 t -107.39 108.43 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -91.97 103.04 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HG ' HG12 ' A' ' 19' ' ' VAL . 55.2 mt -94.66 148.58 22.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.04 110.9 10.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.61 -179.71 16.51 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.19 166.51 17.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.545 ' CB ' HD23 ' A' ' 95' ' ' LEU . 18.5 Cg_endo -75.0 -19.91 17.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.54 1.811 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.18 -54.43 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -69.49 -11.75 61.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.91 -144.56 41.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.473 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 37.2 m-85 -102.41 -87.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.649 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 144.36 69.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -167.13 138.29 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.1 mm-40 -105.03 157.59 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -121.8 142.36 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 34' ' ' GLN . 0.4 OUTLIER -119.72 119.33 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.52 -150.83 5.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.84 165.88 0.44 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -80.76 -49.98 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -67.06 153.32 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.32 -33.02 14.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.5 p -98.3 66.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.25 127.46 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 43' ' ' LEU . 16.8 m -48.8 165.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 83' ' ' MET . 23.2 mt -114.65 108.45 16.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.57 -23.21 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 163.39 51.51 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.06 140.93 25.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 143.36 28.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.656 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -95.49 164.11 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 52' ' ' ILE . 18.1 t -79.75 78.34 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' VAL . 1.7 t -40.83 -60.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 19.0 t80 -141.23 165.93 26.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.725 HD11 HG11 ' A' ' 49' ' ' VAL . 50.6 mt -133.57 139.31 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 3.1 mt-10 -76.77 136.89 66.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 138.54 23.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 65.89 11.52 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -84.48 178.82 2.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.5 Cg_endo -74.97 -45.19 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -55.76 -34.46 65.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -76.76 -43.57 36.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -50.87 -27.19 6.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.817 ' SG ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -63.25 -29.31 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.266 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.34 -60.81 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.957 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.94 -20.37 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.91 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -85.04 141.59 30.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -164.3 178.57 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.3 t -66.32 133.71 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 48' ' ' LEU . . . 78.24 44.91 10.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.611 ' O ' HG12 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -96.89 -13.09 22.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HA ' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER 59.62 112.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 53.1 t -95.91 117.02 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.751 HD11 ' CG ' ' A' ' 104' ' ' GLU . 19.1 mt -82.85 -56.45 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 p -141.38 155.89 45.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.044 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 72.4 mt -125.18 111.13 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.6 t-20 75.6 5.28 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 -5.78 26.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 mm -94.83 121.72 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.84 123.82 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.0 p -67.24 -35.68 80.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.64 -20.17 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.37 47.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.19 172.67 43.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' GLU . 62.9 p -94.91 155.18 16.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 0.742 . . . . 0.0 110.358 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.465 ' HA ' HD11 ' A' ' 43' ' ' LEU . 8.2 tpt -41.44 -34.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -44.84 62.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' THR . 28.5 mt-10 -46.85 -46.8 21.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.38 -56.03 27.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -55.95 -44.78 78.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -59.98 -51.79 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 mt -48.65 -49.28 38.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 90' ' ' LEU . 6.9 mt -58.22 -38.94 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -66.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.81 -40.1 83.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.443 ' HB1' ' CG2' ' A' ' 99' ' ' VAL . . . -52.59 -41.14 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.73 97.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.545 HD23 ' CB ' ' A' ' 25' ' ' PRO . 42.0 mt -58.71 -16.88 18.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.15 -15.89 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.6 m170 69.04 7.86 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.61 140.38 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.534 HG13 ' CD2' ' A' ' 101' ' ' LEU . 9.8 p -153.23 146.18 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.766 HG13 ' HG3' ' A' ' 18' ' ' GLU . 5.8 t -106.61 116.21 49.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.534 ' CD2' HG13 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -103.78 131.44 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -111.11 111.16 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -96.86 160.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.751 ' CG ' HD11 ' A' ' 71' ' ' LEU . 3.4 tt0 -133.41 115.07 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -155.8 175.16 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 108' ' ' GLY . 56.9 m-20 -106.16 90.94 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.2 t -44.64 95.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' ASP . . . 155.92 173.83 25.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.13 29.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.2 p -170.22 130.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.09 85.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -174.29 141.77 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.008 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 p -170.09 148.46 3.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.71 173.28 42.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -164.74 135.4 4.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 110.002 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -165.16 129.89 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.31 -140.77 7.77 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.43 145.88 4.23 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.41 -139.96 3.92 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.28 131.73 3.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.5 tt -68.78 151.04 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.077 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.13 169.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -159.52 158.23 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.582 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.528 HG21 ' OE1' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -44.59 153.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.433 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -103.98 -172.89 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 2.5 p -148.74 142.94 26.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -133.7 129.93 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.396 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.561 ' CG ' HG13 ' A' ' 100' ' ' VAL . 37.8 tt0 -95.06 115.51 27.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.676 ' CG1' HD13 ' A' ' 21' ' ' LEU . 18.5 t -106.68 133.6 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -112.64 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.676 HD13 ' CG1' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -86.22 140.48 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.24 125.14 36.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.62 167.64 39.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.98 161.69 67.53 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.938 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.1 Cg_endo -75.02 -16.67 20.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -55.8 5.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -78.65 -30.39 46.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 -120.32 6.33 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -138.84 14.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.735 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.722 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 47.01 57.12 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -149.19 145.35 27.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -125.59 125.91 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 70' ' ' VAL . 30.5 mt -91.27 155.69 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 2.3 tt0 -142.66 111.78 6.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.27 -152.75 7.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.55 -171.68 0.1 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt -93.19 -32.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.2 127.18 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' GLU . . . -85.47 -55.36 4.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -37.98 -31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' ALA . 2.0 mm-40 -88.2 141.56 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 43' ' ' LEU . 28.0 m -49.04 170.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 83' ' ' MET . 15.0 mt -108.56 110.0 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -24.61 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.1 p -134.53 158.31 75.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.59 29.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 18.3 Cg_endo -75.02 140.6 25.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.827 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -96.15 166.84 11.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.498 HG11 ' CD1' ' A' ' 52' ' ' ILE . 24.6 t -76.75 87.6 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -48.28 -54.42 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 108.337 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 52' ' ' ILE . 14.3 t80 -152.69 169.76 21.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.567 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 17.2 mt -139.4 140.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 2.3 mt-10 -78.76 142.72 61.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 138.41 22.91 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.21 9.93 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.524 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -86.91 179.58 1.73 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -60.31 -24.38 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -91.87 -40.67 11.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.01 -26.06 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.544 ' SG ' HG13 ' A' ' 19' ' ' VAL . 3.7 m -62.91 -27.46 69.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.18 -60.68 0.4 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.029 HD13 ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -59.71 -29.17 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.029 ' N ' HD13 ' A' ' 63' ' ' LEU . 8.8 tp -71.2 130.49 41.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -154.5 164.93 37.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 49' ' ' VAL . 53.8 t -57.59 134.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.56 -24.9 14.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.616 ' OD2' HD12 ' A' ' 64' ' ' LEU . 16.8 m-20 -55.74 123.48 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.827 ' HG3' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -80.58 140.72 35.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 24.8 t -106.69 102.06 13.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' ' 104' ' ' GLU . 13.1 mt -69.41 -60.5 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' HG23 ' A' ' 78' ' ' THR . 9.5 p -134.78 171.74 13.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.729 HG21 ' CD2' ' A' ' 90' ' ' LEU . 96.3 mt -134.29 111.63 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.11 6.87 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.42 -0.75 26.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 73' ' ' ILE . 5.6 mm -98.97 126.49 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.24 132.89 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.633 HG21 HG12 ' A' ' 70' ' ' VAL . 73.8 p -81.07 -30.83 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.365 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.59 -14.79 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.09 39.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.88 -165.44 31.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 39' ' ' ALA . 2.3 p -100.83 168.73 9.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 110.36 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.751 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.81 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.53 -42.47 33.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -45.35 28.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.91 -44.6 92.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.451 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 19.0 m-80 -63.69 -54.09 41.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -47.4 -35.52 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.51 -51.81 63.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.729 ' CD2' HG21 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -53.4 -36.26 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.69 -71.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -46.29 -39.45 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.466 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -61.68 -42.42 98.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 25' ' ' PRO . . . -58.75 -34.67 71.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 25' ' ' PRO . 25.3 mt -73.76 -5.94 43.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.75 -14.67 16.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 97' ' ' HIS . 8.2 m170 71.72 11.84 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.569 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.41 150.29 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.466 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 11.0 p -160.35 145.78 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.693 ' C ' HD13 ' A' ' 101' ' ' LEU . 97.5 t -114.08 130.85 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.743 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -124.19 145.73 49.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.51 115.22 24.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 68' ' ' ASP . 1.5 t -106.56 141.89 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.757 ' HB2' HD11 ' A' ' 71' ' ' LEU . 2.3 tt0 -110.58 122.17 47.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 17' ' ' THR . 5.3 p90 -160.56 159.79 31.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.68 108.85 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t -66.78 81.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.74 162.65 37.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 157.07 42.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.9 t 44.66 74.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.14 149.98 47.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -165.38 152.07 10.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.99 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.75 105.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.21 145.42 15.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.04 137.09 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -126.0 156.15 40.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.62 154.73 16.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.81 -123.64 1.92 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.42 147.19 7.25 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.14 164.63 32.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.33 141.37 15.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.7 143.84 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.21 110.86 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.626 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 105' ' ' PHE . 3.1 m 62.54 170.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.377 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.51 159.6 23.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.347 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 p -131.31 141.52 49.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 0.9 OUTLIER -125.95 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.609 ' HG3' HG13 ' A' ' 100' ' ' VAL . 11.9 tt0 -100.84 121.0 40.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.606 HG11 HD12 ' A' ' 64' ' ' LEU . 66.4 t -112.43 124.09 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 100' ' ' VAL . 97.6 t -108.92 124.03 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 21.6 mt -114.93 155.77 26.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.0 t -135.54 151.58 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.98 -179.65 45.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 166.31 17.02 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.66 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.0 Cg_endo -75.01 -14.52 21.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -95.56 -55.07 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 m -72.89 -19.41 61.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.3 -116.13 7.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 14.5 m-85 -135.11 -88.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.574 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 146.45 66.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.864 HD21 HD11 ' A' ' 90' ' ' LEU . 1.3 pp -151.69 146.95 26.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 2.3 mm-40 -123.48 120.86 34.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -84.67 169.64 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.695 ' OE1' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -145.94 120.92 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.82 -158.32 9.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -37.47 151.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.76 -58.16 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -70.2 152.46 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.84 -51.98 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -75.89 90.54 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.485 ' C ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER 179.69 116.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.742 ' N ' HG22 ' A' ' 82' ' ' THR . 40.6 m -47.71 149.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.71 HD11 ' HA ' ' A' ' 83' ' ' MET . 99.8 mt -102.06 115.55 30.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.09 -19.66 53.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.55 164.2 45.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 18.1 Cg_endo -75.02 134.83 18.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.96 159.13 41.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.695 HD12 ' OE1' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -119.43 172.2 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 66' ' ' VAL . 41.1 t -86.1 136.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.416 ' C ' ' HB ' ' A' ' 66' ' ' VAL . 14.2 t -101.26 -32.54 10.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 108.329 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -162.46 159.06 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.0 mt -132.31 122.66 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.72 140.97 85.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.86 27.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.43 13.54 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -86.8 179.1 1.91 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.2 Cg_endo -74.97 -39.22 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 30' ' ' GLY . . . -65.43 -29.45 70.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.12 -41.62 25.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -51.64 -27.51 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.51 ' SG ' ' CD2' ' A' ' 21' ' ' LEU . 15.9 m -63.58 -28.33 69.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.69 -56.03 1.3 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -62.9 -34.05 76.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.624 HD22 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -67.39 135.2 52.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 52' ' ' ILE . 3.0 pt20 -178.29 146.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.556 ' HA ' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -36.22 147.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.2 13.73 61.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 48' ' ' LEU . 37.8 m-20 -112.93 121.41 44.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.78 ' O ' HG13 ' A' ' 103' ' ' VAL . 4.8 mtp180 -67.78 164.6 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 70' ' ' VAL . 10.8 t -139.31 78.79 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' ' 104' ' ' GLU . 22.1 mt -39.11 -67.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -128.17 169.55 14.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.492 HD11 HG11 ' A' ' 70' ' ' VAL . 94.5 mt -135.77 110.64 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.579 HD22 ' HB2' ' A' ' 93' ' ' ALA . 0.8 OUTLIER 75.64 4.22 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.67 -1.75 24.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -99.51 128.96 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.13 124.82 27.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 p -74.52 -19.56 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -76.92 -16.16 59.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -107.33 30.83 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -156.56 -175.49 27.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.742 HG22 ' N ' ' A' ' 42' ' ' THR . 12.2 p -100.77 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 0.807 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.71 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -46.1 -59.79 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.25 -55.81 7.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.63 -55.69 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.98 -49.02 42.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.417 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 22.5 m-80 -63.92 -39.75 94.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -64.5 -44.51 90.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.4 mt -52.73 -39.62 62.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.864 HD11 HD21 ' A' ' 31' ' ' LEU . 4.7 mt -65.95 -28.45 68.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -60.37 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -53.62 -31.67 48.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.579 ' HB2' HD22 ' A' ' 74' ' ' ASN . . . -66.8 -42.46 85.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.83 78.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 25' ' ' PRO . 33.2 mt -59.82 -16.06 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 93' ' ' ALA . . . -95.48 -6.91 39.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 17.3 m-70 67.8 7.68 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -154.37 162.17 41.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 90' ' ' LEU . 9.0 p -160.66 167.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 20' ' ' VAL . 79.9 t -138.26 141.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -130.51 149.48 52.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -125.76 114.56 18.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 69' ' ' ARG . 2.3 t -103.73 148.38 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.812 ' HB2' HD11 ' A' ' 71' ' ' LEU . 11.7 tt0 -119.54 124.67 46.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.516 ' O ' HG22 ' A' ' 14' ' ' THR . 2.3 p90 -154.08 -176.71 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -119.4 11.83 12.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 59.49 84.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -175.51 162.03 31.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.61 16.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 89.0 p -134.12 167.76 20.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 m -149.16 158.74 44.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 111.051 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 62.88 125.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 p -137.41 159.1 42.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.7 101.86 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -155.36 162.06 40.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -95.55 163.09 13.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.971 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.7 -91.04 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.53 -176.35 41.72 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.94 -128.38 3.59 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -163.32 156.32 18.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 pp -122.47 156.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.74 137.39 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -45.83 -57.3 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.604 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 15' ' ' GLU . 5.9 m -84.72 172.2 11.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' H ' HG22 ' A' ' 14' ' ' THR . 16.7 mp0 -99.88 153.72 18.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -136.59 141.32 43.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 105' ' ' PHE . 1.2 t -122.17 127.22 49.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.714 ' HG3' HG13 ' A' ' 100' ' ' VAL . 26.3 tt0 -103.55 122.73 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.597 HG11 ' SG ' ' A' ' 61' ' ' CYS . 81.5 t -122.55 133.62 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.9 t -100.94 97.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -89.42 148.53 23.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.52 108.39 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.243 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.35 -179.68 16.23 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -94.63 158.5 35.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.919 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.2 Cg_endo -75.0 -14.73 21.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -53.01 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.61 -122.59 6.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.118 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 90' ' ' LEU . 28.8 m-85 -130.55 11.4 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . 46.54 59.53 5.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -158.05 140.54 14.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -113.53 128.1 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 76.5 mt -101.88 131.2 48.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -105.35 123.37 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.21 -169.32 12.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -39.09 147.76 0.13 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.94 -45.73 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -85.05 111.28 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.24 -40.97 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.0 p -69.91 -166.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' C ' HG22 ' A' ' 82' ' ' THR . 1.8 mm-40 64.37 127.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -51.39 155.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' A' ' 83' ' ' MET . 12.9 mt -91.54 107.12 18.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.63 -25.35 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 163.66 49.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 144.76 30.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 142.93 28.46 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -106.43 159.44 16.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.61 HG21 HD21 ' A' ' 64' ' ' LEU . 31.2 t -71.66 138.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.61 -47.89 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -145.03 157.22 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.509 HD11 ' CD2' ' A' ' 64' ' ' LEU . 11.2 mt -134.64 126.57 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.52 146.01 99.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.24 21.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.95 12.4 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.541 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.7 OUTLIER -82.67 -179.89 1.67 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -74.99 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -56.13 -23.27 33.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 9.9 tp10 -91.96 -43.51 9.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -51.37 -35.29 37.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' HG11 ' A' ' 19' ' ' VAL . 1.3 t -63.6 -28.57 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.11 -59.71 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.26 -41.95 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 49' ' ' VAL . 1.7 tt -68.99 131.38 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.91 168.94 25.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 49' ' ' VAL . 72.3 t -61.99 131.29 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.73 -29.14 9.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.26 174.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.971 ' O ' HG13 ' A' ' 103' ' ' VAL . 1.5 mpp_? -123.32 160.78 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.686 HG11 HD11 ' A' ' 73' ' ' ILE . 54.0 t -135.43 95.54 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 104' ' ' GLU . 25.2 mt -67.28 -60.15 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 p -130.82 161.42 31.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.026 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.686 HD11 HG11 ' A' ' 70' ' ' VAL . 93.3 mt -133.58 113.62 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.757 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 1.3 t-20 71.79 8.28 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.27 5.64 34.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.1 mm -107.6 120.99 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.15 125.29 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.504 HG21 HG12 ' A' ' 70' ' ' VAL . 23.0 p -65.65 -28.33 69.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.362 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.33 -12.48 61.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -105.53 36.79 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -173.67 165.69 37.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.545 1.153 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 41' ' ' GLU . 67.9 p -87.4 159.98 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 110.413 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.599 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.12 -59.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -48.13 -52.74 19.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.32 -40.11 11.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 83' ' ' MET . . . -64.18 -50.0 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.447 ' ND2' ' SD ' ' A' ' 83' ' ' MET . 21.9 m-80 -61.9 -35.44 78.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -71.22 -45.17 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.83 -27.99 46.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 29' ' ' PHE . 6.3 mt -78.18 -33.78 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.438 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -59.94 -62.07 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.46 ' HA ' HD12 ' A' ' 95' ' ' LEU . 11.2 t70 -51.31 -41.8 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.757 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -64.82 -29.14 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -73.64 -30.14 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.919 HD23 ' HB3' ' A' ' 25' ' ' PRO . 20.5 mt -75.86 -6.8 52.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.23 -17.54 16.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.3 m170 74.28 8.3 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.569 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -153.35 137.89 16.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.653 ' HB ' ' HB1' ' A' ' 93' ' ' ALA . 12.8 p -149.77 156.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.714 HG13 ' HG3' ' A' ' 18' ' ' GLU . 3.0 t -112.96 127.88 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.738 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.5 OUTLIER -115.01 134.75 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.07 110.94 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.971 HG13 ' O ' ' A' ' 69' ' ' ARG . 1.1 t -105.87 146.29 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.669 ' HB2' HD11 ' A' ' 71' ' ' LEU . 2.0 tt0 -114.62 129.28 56.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.489 ' CE2' ' HB ' ' A' ' 17' ' ' THR . 1.8 p90 -155.13 172.12 18.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -106.03 12.41 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 t 53.75 85.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -138.32 170.63 23.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 79.54 2.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 94.6 p -39.97 99.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.6 t 64.35 79.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.96 . . . . . . . . 0 0 . 1 stop_ save_