data_2jsa_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 2jsa _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 ' 4' ' ' LEU . . . . . 0.945 HD23 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.705 ' N ' HD13 ' A' ' 4' ' ' LEU . 4.4 p -44.97 -49.17 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLN . 34.8 m -58.13 -55.6 32.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -34.93 -59.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.553 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 9.3 mtt -46.19 -48.97 17.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.966 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -55.56 -31.94 62.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.513 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 tt0 -83.75 -4.52 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.657 HD11 ' CD ' ' A' ' 34' ' ' GLU . 41.2 tp -92.43 -41.51 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.636 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 16.5 m -71.62 -49.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.924 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.7 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.603 ' N ' HG21 ' A' ' 13' ' ' VAL . 5.6 ttpp -44.95 -32.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 63.0 mmtt -82.5 -36.11 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.084 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.24 -67.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 2.8 pp20? -52.92 -29.44 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.44 67.58 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.74 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.7 t -104.51 -94.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.054 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 19' ' ' SER . . . 160.25 -35.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.08 -15.7 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 69.3 32.33 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.425 ' HB3' HG21 ' A' ' 26' ' ' VAL . 7.1 m-20 -92.92 114.81 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.409 ' O ' ' HD2' ' A' ' 28' ' ' LYS . . . -66.55 -10.16 42.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -85.72 -53.81 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -76.15 -5.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 16' ' ' TYR . 19.7 mt -85.5 -52.49 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HE3' HG11 ' A' ' 57' ' ' VAL . 3.4 ptmt -63.39 -24.37 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -71.99 -48.87 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.862 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.4 m-20 -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.744 ' CD1' HG12 ' A' ' 53' ' ' VAL . 8.6 t80 -55.02 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.702 ' HD2' ' CG ' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -56.03 -20.9 18.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.862 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -55.79 -72.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.657 ' CD ' HD11 ' A' ' 11' ' ' LEU . 1.5 pt-20 -73.21 -39.35 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.597 ' HB2' HD22 ' A' ' 11' ' ' LEU . 4.6 t -46.73 -24.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HA ' HG23 ' A' ' 46' ' ' THR . 0.4 OUTLIER -85.18 -60.55 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LEU . 26.6 mtpt -66.09 -63.74 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.684 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -40.12 -46.6 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.684 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.3 m-30 -116.94 49.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -77.29 -22.74 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.6 p -110.05 42.77 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.7 HG23 ' HD2' ' A' ' 43' ' ' PRO . 19.7 mm -117.67 143.07 31.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.7 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 2.1 t80 76.28 0.04 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -53.95 -65.07 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.578 HG23 ' HA ' ' A' ' 36' ' ' LYS . 76.5 p -58.11 -30.8 66.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.456 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' C ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -64.23 -56.31 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 1.2 tm-20 -64.54 -29.78 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -49.14 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 108.309 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.702 ' CG ' ' HD2' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -55.91 -25.07 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -83.78 4.05 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.966 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 33.6 t80 -112.76 -45.46 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.744 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.9 m -57.09 -17.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -136.04 69.34 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m 172.61 -34.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.452 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 8.9 mmtp -128.53 11.71 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.623 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -97.5 -45.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.653 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.93 -43.91 97.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.683 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.94 -55.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.595 HG21 ' CG2' ' A' ' 12' ' ' VAL . 11.1 mt -46.57 -55.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.084 HG23 ' CE2' ' A' ' 16' ' ' TYR . 9.0 mt -62.44 -21.31 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.683 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.32 -44.74 86.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.977 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -60.22 -60.63 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.924 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.61 -16.87 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 2.0 mt-10 -74.78 -31.7 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.35 -36.52 8.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.77 43.06 0.1 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.583 HG23 HG23 ' A' ' 73' ' ' VAL . 1.6 m -108.38 149.46 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.841 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -81.51 162.27 58.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.0 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.1 -25.22 11.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.841 HG21 ' O ' ' A' ' 69' ' ' ALA . 2.2 t -70.13 -54.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 67.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.599 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -178.77 -64.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.599 ' N ' HG23 ' A' ' 75' ' ' THR . 0.6 OUTLIER -74.74 -25.59 59.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.977 HD22 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -82.42 10.54 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . 70.9 m-20 38.98 33.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' OE1' ' CG1' ' A' ' 60' ' ' ILE . 17.9 pt-20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.772 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -40.86 69.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -58.77 -51.21 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.85 -50.55 18.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.622 ' HE1' HD22 ' A' ' 4' ' ' LEU . 15.0 mtt -47.4 -44.16 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.013 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -58.4 -29.99 66.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.62 ' HE2' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -82.88 -7.21 59.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 31' ' ' PHE . 35.4 tp -89.64 -46.27 8.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.591 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.2 m -64.56 -53.12 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.848 HG12 HD11 ' A' ' 64' ' ' LEU . 27.9 m -58.55 -58.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.62 ' HD3' ' HE2' ' A' ' 10' ' ' GLU . 3.1 ttpt -45.52 -30.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' SER . 64.6 mmtt -81.01 -37.67 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.973 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -76.66 -67.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HG2' ' CG ' ' A' ' 70' ' ' PRO . 2.8 pp20? -47.26 -36.23 8.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 17' ' ' GLU . . . -115.89 48.2 0.96 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.727 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -98.33 -52.65 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.29 -4.93 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 -14.74 14.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 47.32 43.81 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 15.1 t0 -125.36 117.11 23.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -72.24 -5.89 39.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.416 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 9.0 m-80 -88.02 -51.23 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.4 -9.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.727 ' CG1' ' HG ' ' A' ' 19' ' ' SER . 31.2 mt -84.51 -67.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 7.3 ptpp? -52.45 -34.97 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 18.2 mtpp -66.28 -43.16 87.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.669 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.36 -48.93 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.748 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.1 t80 -45.26 -53.83 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -23.77 63.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.4 -69.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.67 ' HB3' HD11 ' A' ' 11' ' ' LEU . 16.6 tp10 -53.55 -28.29 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -46.16 51.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -53.0 -19.97 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -107.03 -43.94 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.9 tp -64.46 -64.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.772 ' CE1' HD21 ' A' ' 4' ' ' LEU . 53.0 m-85 -88.71 33.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.592 ' CE1' ' CG2' ' A' ' 41' ' ' THR . 0.0 OUTLIER -67.67 -22.54 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.592 ' CG2' ' CE1' ' A' ' 40' ' ' HIS . 66.2 p -116.38 61.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.739 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.4 mt -146.01 143.65 19.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 106.57 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 77.03 -2.43 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.01 -45.15 51.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -70.95 -31.92 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 110.428 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -65.54 -61.14 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.7 OUTLIER -53.12 -28.98 28.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.543 ' O ' HG13 ' A' ' 53' ' ' VAL . 2.3 m -61.55 -53.77 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.73 -12.33 33.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.412 ' O ' ' OG ' ' A' ' 55' ' ' SER . 2.1 m80 -104.91 2.71 30.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 109.565 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 1.013 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 43.3 t80 -107.79 -43.96 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.748 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.2 m -56.47 -18.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -133.66 54.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 51' ' ' HIS . 71.2 m -164.52 -50.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -113.76 11.06 17.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.6 t -95.87 -50.44 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.641 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 t0 -47.76 -44.6 57.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.94 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.591 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.8 mt -48.32 -58.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.973 HG23 ' CE2' ' A' ' 16' ' ' TYR . 4.1 mt -58.82 -21.6 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.638 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -63.5 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.97 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -79.32 -56.65 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.889 ' HG ' HG22 ' A' ' 73' ' ' VAL . 72.7 mt -45.07 -42.68 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.831 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 37.7 mt-10 -62.94 -39.68 95.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . . . -61.97 -37.31 94.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.58 -8.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.738 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 3.9 m -60.77 161.85 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.895 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -82.87 161.99 56.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.853 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.0 Cg_endo -75.07 -6.77 18.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 3.77 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.43 ' HB3' HG21 ' A' ' 68' ' ' THR . 27.0 t70 -112.47 -29.61 7.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.97 HG23 ' HB3' ' A' ' 63' ' ' GLU . 54.7 t -45.62 -93.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.557 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.68 -47.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.673 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -38.01 -70.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.673 ' N ' HG23 ' A' ' 75' ' ' THR . 7.7 ptpt -67.71 -26.29 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.533 HD22 ' CG ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -79.47 9.73 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' CYS . 2.3 m120 42.04 28.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' HE2' ' HE1' ' A' ' 52' ' ' TYR . 4.7 tm-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' SER . 3.7 mm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 71.1 p -37.1 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -64.59 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -38.61 -52.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.57 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 44.5 mtt -50.82 -35.77 34.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.954 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -60.54 -33.65 72.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 108.334 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.564 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.3 tp10 -79.51 -8.5 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.995 HD11 ' HB3' ' A' ' 34' ' ' GLU . 36.7 tp -90.65 -40.17 12.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 11.5 m -73.4 -49.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.911 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -57.92 -58.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.623 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -77.41 -39.53 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.959 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -75.31 -67.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.984 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' VAL . 8.3 mm-40 -39.56 -40.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.12 48.12 0.97 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.167 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.67 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.8 p -80.97 -55.8 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.07 -7.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.633 ' HD2' ' HB ' ' A' ' 26' ' ' VAL . 16.0 p-10 -114.96 -11.59 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.7 mmmt 47.52 62.06 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.542 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -144.75 120.63 10.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.97 -1.72 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.8 m-80 -86.82 -46.84 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.633 ' HB ' ' HD2' ' A' ' 21' ' ' ASP . 1.6 t -78.74 -16.31 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 63.7 mt -77.2 -68.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.576 ' O ' HG11 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -51.42 -34.12 33.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 17.8 mtpp -67.79 -64.87 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.74 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 51.6 m-20 -41.98 -49.79 4.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.966 ' CD2' HD21 ' A' ' 11' ' ' LEU . 4.2 t80 -42.47 -57.78 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.453 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 7.4 t70 -53.73 -30.05 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.1 -52.85 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.995 ' HB3' HD11 ' A' ' 11' ' ' LEU . 39.6 tp10 -79.2 -7.64 58.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.588 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -77.57 -50.78 11.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 108.355 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 3.2 mtpt -66.28 -27.42 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -81.6 -55.93 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.604 HD23 ' CE1' ' A' ' 39' ' ' PHE . 6.1 tt -63.11 -57.69 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE1' HD23 ' A' ' 38' ' ' LEU . 9.1 m-85 -85.91 30.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -58.41 -29.87 66.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.7 p -119.69 70.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.701 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.1 mt -147.6 142.94 17.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.701 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 99.7 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 1.3 t80 76.3 0.86 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.38 -59.6 5.16 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.58 1.175 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.406 ' CB ' ' HE3' ' A' ' 36' ' ' LYS . 32.2 p -63.32 -39.98 96.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -36.05 61.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 2.2 tp10 -78.26 -35.45 48.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.498 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -54.99 -41.82 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -38.37 87.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -85.88 12.46 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.954 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 44.7 t80 -111.07 -48.77 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 31.7 m -53.49 -19.78 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.42 69.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.58 -33.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 22.6 mttt -129.69 5.27 5.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -95.57 -45.2 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.639 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -50.59 -44.84 84.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -75.0 -56.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.825 HG12 ' HE2' ' A' ' 79' ' ' GLU . 26.5 mt -45.32 -57.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.959 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -59.08 -23.19 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.603 ' CE1' ' CD ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -64.62 -46.04 84.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.828 ' HE2' HD11 ' A' ' 77' ' ' LEU . 1.7 mp0 -60.42 -51.26 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.911 HD11 HG12 ' A' ' 13' ' ' VAL . 24.3 mt -59.86 -37.61 79.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 4.4 mt-10 -59.5 -50.01 75.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.16 96.68 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.82 43.14 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.808 ' O ' HD21 ' A' ' 64' ' ' LEU . 1.7 m -113.74 131.09 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.729 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -56.46 162.53 3.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.435 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.95 -15.64 20.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.07 3.58 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -107.55 -32.24 7.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.729 HG21 ' O ' ' A' ' 69' ' ' ALA . 2.3 t -68.64 -46.99 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.503 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.9 m -79.58 67.4 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.98 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -75.58 -26.53 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.828 HD11 ' HE2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -85.37 10.85 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.242 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.78 34.04 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.825 ' HE2' HG12 ' A' ' 60' ' ' ILE . 18.4 pt-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.652 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' CYS . 7.2 t -52.2 -65.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' GLU . 8.6 tp60 -43.05 -55.23 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.712 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 14.6 mtt -49.83 -27.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.867 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -66.66 -33.29 75.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.462 ' HA ' HG23 ' A' ' 13' ' ' VAL . 22.1 tt0 -79.23 -8.74 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.968 HD21 ' CE2' ' A' ' 31' ' ' PHE . 65.0 tp -89.52 -43.96 10.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.74 HG11 HG21 ' A' ' 57' ' ' VAL . 17.9 m -67.29 -51.84 48.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.783 HG12 HD11 ' A' ' 64' ' ' LEU . 33.9 m -59.13 -57.4 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.602 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -46.05 -31.1 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.703 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 27.6 mmtt -82.34 -37.68 25.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.001 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -73.13 -66.29 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.533 ' CD ' HD23 ' A' ' 64' ' ' LEU . 12.3 mm-40 -45.2 -42.75 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.17 51.48 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.83 ' HG ' HG13 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -88.74 -48.92 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 87.1 58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER 162.12 -26.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 66.07 48.09 1.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.431 ' HB2' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -113.18 111.37 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -7.4 18.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -85.57 -56.1 3.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 23' ' ' ASP . 1.9 t -73.69 -7.07 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.83 HG13 ' HG ' ' A' ' 19' ' ' SER . 47.1 mt -86.76 -76.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' N ' HG22 ' A' ' 27' ' ' ILE . 5.1 ptpp? -42.15 -38.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 15.0 mtpp -64.97 -46.78 80.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.703 ' CG ' ' HZ3' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -50.75 -52.13 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.968 ' CE2' HD21 ' A' ' 11' ' ' LEU . 3.4 t80 -44.31 -52.14 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.92 ' HD2' ' CG ' ' A' ' 50' ' ' ASP . 3.7 t0 -60.11 -31.79 70.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.91 -69.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.598 1.186 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.551 ' HB3' HD11 ' A' ' 11' ' ' LEU . 6.1 tp10 -47.34 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.743 ' HA ' HD21 ' A' ' 38' ' ' LEU . 49.0 t -45.38 -56.61 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 4.2 mmtp -39.62 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -99.18 -54.88 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -48.63 -44.4 37.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CD2' HD13 ' A' ' 42' ' ' ILE . 4.5 m-30 -116.85 46.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.707 ' CE1' HG21 ' A' ' 41' ' ' THR . 26.9 p-80 -67.3 -34.25 76.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.707 HG21 ' CE1' ' A' ' 40' ' ' HIS . 32.3 p -77.74 -44.92 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.784 HD13 ' CD2' ' A' ' 39' ' ' PHE . 3.5 mt -49.64 142.41 12.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.08 -94.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.46 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 17.1 p90 -50.61 -26.05 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -35.07 -61.92 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.6 p -59.04 -38.67 79.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.373 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 8.3 mtt180 -64.57 -58.93 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.712 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.7 OUTLIER -55.44 -39.34 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.572 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -63.23 -42.47 99.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.92 ' CG ' ' HD2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -72.58 -5.29 36.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 1.85 15.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.867 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 66.8 t80 -101.82 -40.63 6.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.743 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -56.68 -17.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.04 64.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -175.05 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.5 mttt -128.8 10.06 5.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.74 HG21 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -95.07 -47.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.637 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.11 -44.56 80.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -57.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.836 HG23 HG11 ' A' ' 73' ' ' VAL . 23.6 mt -44.61 -59.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.001 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.13 -23.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -68.58 -25.4 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.915 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -76.55 -51.35 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.345 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.9 HD21 ' O ' ' A' ' 68' ' ' THR . 6.5 mt -64.91 -27.91 69.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.497 ' HG3' ' HH ' ' A' ' 16' ' ' TYR . 2.9 mt-10 -66.74 -48.03 70.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.21 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.9 ' O ' HD21 ' A' ' 64' ' ' LEU . 3.4 m -115.38 135.81 53.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 1.035 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -65.87 170.58 4.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.03 -20.54 16.7 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -7.78 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.468 ' CB ' HG21 ' A' ' 68' ' ' THR . 4.3 m-20 -98.01 -37.53 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.035 HG21 ' O ' ' A' ' 69' ' ' ALA . 61.0 t -50.09 -54.32 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.533 ' HA ' ' HG3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.76 54.82 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 108.241 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -145.43 -56.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' N ' ' CG2' ' A' ' 75' ' ' THR . 11.2 ptmt -82.82 -25.79 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HG ' ' HE2' ' A' ' 63' ' ' GLU . 5.2 mt -77.33 1.21 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.7 16.75 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.395 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.709 ' HE2' ' HB2' ' A' ' 9' ' ' CYS . 1.4 pp20? . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.357 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.687 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -51.02 -39.93 57.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.08 -58.88 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.8 mt-30 -50.46 -55.02 17.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.082 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.584 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 8.8 mtt -47.65 -43.46 26.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.913 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 1.1 t -58.68 -30.7 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.541 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.0 mt-10 -79.46 -8.83 59.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.904 HD21 ' CE2' ' A' ' 31' ' ' PHE . 62.9 tp -91.06 -40.05 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.703 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.0 m -72.73 -46.95 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.945 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -61.81 -59.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG21 ' A' ' 13' ' ' VAL . 4.1 tttp -45.11 -32.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 19' ' ' SER . 42.8 mmtt -78.13 -40.46 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.083 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.18 -71.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 2.4 pp20? -40.82 -36.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.4 46.59 1.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.609 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.53 -51.34 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 78.08 0.65 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.96 -11.57 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 44.82 50.5 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.561 ' OD2' HG21 ' A' ' 26' ' ' VAL . 11.2 t0 -135.47 107.7 7.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.83 -10.69 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.9 t-20 -81.1 -50.22 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.561 HG21 ' OD2' ' A' ' 23' ' ' ASP . 2.5 t -76.72 -7.69 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.796 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.6 mt -88.98 -65.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.619 ' HB3' HG11 ' A' ' 57' ' ' VAL . 5.9 ptpp? -51.43 -40.13 58.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.6 mtpp -65.21 -47.51 76.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.715 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -49.44 -52.35 29.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.904 ' CE2' HD21 ' A' ' 11' ' ' LEU . 6.3 t80 -44.73 -56.35 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.66 ' HB2' HG11 ' A' ' 53' ' ' VAL . 47.9 t0 -60.03 -22.91 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -71.0 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.612 ' HB3' HD11 ' A' ' 11' ' ' LEU . 11.4 tp10 -56.0 -47.08 78.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.766 ' HA ' HD21 ' A' ' 38' ' ' LEU . 38.4 t -58.53 -48.16 81.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 3.5 mmtp -40.82 -37.47 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.55 -54.67 3.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.615 1.197 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.766 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -45.69 -47.03 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.687 ' CE2' HD11 ' A' ' 4' ' ' LEU . 3.9 m-30 -117.73 42.78 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.445 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.06 -23.18 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' ILE . 38.3 p -90.81 -44.76 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.658 HG23 ' HD2' ' A' ' 43' ' ' PRO . 27.5 mm -38.91 141.9 0.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.658 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.09 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -107.87 33.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.619 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -91.05 -53.34 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 p -71.8 -32.34 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 4.6 mmm180 -68.99 -58.24 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.238 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.24 71.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.589 ' O ' HG13 ' A' ' 53' ' ' VAL . 3.2 m -65.04 -51.99 58.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.41 -14.43 40.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -104.48 1.32 29.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.575 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.913 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 67.5 t80 -103.57 -41.15 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.759 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.5 m -56.46 -17.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -137.16 69.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t 179.53 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.948 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 60' ' ' ILE . 40.3 mttt -131.84 10.27 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.1 t -96.81 -44.45 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -52.62 -44.76 95.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.696 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -74.94 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.703 HG21 ' CG2' ' A' ' 12' ' ' VAL . 18.7 mt -44.89 -54.86 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.083 HG23 ' CE2' ' A' ' 16' ' ' TYR . 48.0 mt -59.18 -25.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.696 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.989 ' HG2' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -87.35 -43.57 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.945 HD11 HG12 ' A' ' 13' ' ' VAL . 17.1 mt -65.89 -41.44 91.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.35 -32.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.31 -48.79 49.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 -24.29 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.549 HG22 ' HG3' ' A' ' 63' ' ' GLU . 29.1 m -54.12 149.9 8.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 1.017 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -86.49 166.98 24.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.729 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -75.05 -1.06 10.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.57 4.84 12.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.519 ' HB3' HG21 ' A' ' 68' ' ' THR . 0.6 OUTLIER -114.85 -38.09 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.017 HG21 ' O ' ' A' ' 69' ' ' ALA . 21.3 t -40.84 -56.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 70.33 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.693 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -176.58 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.693 ' N ' HG23 ' A' ' 75' ' ' THR . 11.2 ptpt -77.14 -40.69 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.989 HD23 ' HG2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -56.0 -16.61 5.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 44.7 t30 77.76 56.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.468 ' C ' ' HE2' ' A' ' 79' ' ' GLU . 5.0 m -40.24 -57.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 9' ' ' CYS . 12.6 t -52.97 -68.29 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.166 . . . . 0.0 108.278 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' GLU . 1.1 mp0 -40.31 -56.59 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.785 ' HE3' ' SG ' ' A' ' 49' ' ' CYS . 50.8 mtt -45.56 -29.17 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.624 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -66.32 -44.6 82.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.218 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 mt-10 -66.59 -8.7 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.985 HD21 ' CE2' ' A' ' 31' ' ' PHE . 63.3 tp -91.34 -51.79 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.592 HG11 HG21 ' A' ' 57' ' ' VAL . 11.4 m -62.94 -47.56 92.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.895 HG12 HD11 ' A' ' 64' ' ' LEU . 18.9 m -59.54 -57.49 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.623 ' N ' HG21 ' A' ' 13' ' ' VAL . 7.1 tttp -43.48 -35.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' SER . 30.5 mmtt -78.06 -40.53 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.136 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.83 -71.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 111.015 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.647 ' HG2' HD13 ' A' ' 64' ' ' LEU . 6.7 mm-40 -40.43 -37.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.79 46.87 1.07 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.661 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -84.43 -51.02 7.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.971 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.2 -8.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -114.99 -14.5 11.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 48.72 67.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -150.83 116.0 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.9 -8.83 24.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.429 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 12.3 t-20 -81.39 -50.06 9.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -76.61 -9.55 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.682 HG21 ' HB2' ' A' ' 16' ' ' TYR . 57.4 mt -89.84 -68.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.511 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -45.66 -43.48 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.2 mtpp -64.34 -53.7 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.572 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.6 m-20 -46.19 -55.22 7.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.985 ' CE2' HD21 ' A' ' 11' ' ' LEU . 3.1 t80 -41.15 -52.07 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.94 -38.05 78.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.98 -50.61 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.869 ' HB3' HD11 ' A' ' 11' ' ' LEU . 8.8 tp10 -71.07 -63.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -39.51 -33.84 0.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' HIS . 10.6 mmtm -59.69 -77.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -27.33 61.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.619 HD23 ' CD1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.46 -56.25 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.668 ' CG ' HD13 ' A' ' 42' ' ' ILE . 14.7 m-30 -119.02 50.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.718 ' CD2' HG21 ' A' ' 41' ' ' THR . 4.2 p80 -65.8 -43.69 87.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.718 HG21 ' CD2' ' A' ' 40' ' ' HIS . 23.7 p -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.668 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.3 mt -50.66 141.07 18.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.99 -86.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.803 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -69.87 -0.86 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.58 -62.41 6.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -60.4 -31.76 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.11 -52.29 65.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.1 OUTLIER -69.25 -36.71 77.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.785 ' SG ' ' HE3' ' A' ' 8' ' ' MET . 89.5 m -58.38 -46.63 85.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.23 -17.49 62.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.25 8.11 43.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.642 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 38.7 t80 -108.14 -34.86 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.587 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 10.7 m -65.76 -10.95 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -141.19 63.13 1.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -176.0 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.505 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.3 mmtp -133.91 17.49 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.592 HG21 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.65 -24.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.663 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.39 -42.92 2.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -74.98 -51.74 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 9' ' ' CYS . 16.9 mt -49.57 -43.67 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.136 HG23 ' CE2' ' A' ' 16' ' ' TYR . 78.4 mt -72.69 -20.55 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.703 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.929 ' HE2' ' HG1' ' A' ' 68' ' ' THR . 2.6 mm-40 -84.29 -48.06 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.895 HD11 HG12 ' A' ' 13' ' ' VAL . 7.8 mt -66.05 -35.53 80.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.471 ' HB3' ' HH ' ' A' ' 16' ' ' TYR . 1.4 pp20? -75.34 -28.6 59.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.14 -45.06 12.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.19 -20.89 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.929 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 1.9 m -59.71 146.77 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.921 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -78.64 167.94 31.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.76 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.6 Cg_endo -74.94 -6.66 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.74 -2.14 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.572 ' CB ' HG21 ' A' ' 68' ' ' THR . 0.8 OUTLIER -103.4 -32.36 9.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.921 HG21 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -57.18 -47.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.88 59.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 173.23 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HD2' ' HE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -70.98 -45.68 63.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.564 ' N ' HD21 ' A' ' 77' ' ' LEU . 4.2 mt -89.36 22.39 2.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 m120 54.65 19.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HE2' ' C ' ' A' ' 5' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 1.019 HD21 ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 1.019 ' N ' HD21 ' A' ' 4' ' ' LEU . 7.3 t -66.73 -49.02 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -56.94 -58.91 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 108.284 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -43.6 -51.98 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.508 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 16.5 mtt -47.61 -33.9 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.774 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -63.25 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 108.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' HG23 ' A' ' 13' ' ' VAL . 7.1 tt0 -74.58 -5.93 45.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.995 HD21 ' CD2' ' A' ' 31' ' ' PHE . 51.0 tp -92.9 -39.36 11.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.627 HG11 ' CG2' ' A' ' 57' ' ' VAL . 10.1 m -73.64 -47.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -64.08 -59.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.634 ' N ' HG21 ' A' ' 13' ' ' VAL . 2.7 ttpp -43.89 -36.17 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 19' ' ' SER . 69.1 mmtt -77.33 -38.33 50.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.174 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.1 t80 -76.84 -72.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.5 pp20? -42.0 -30.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.64 40.37 2.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.666 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.5 p -78.56 -54.81 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.51 -6.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.609 ' HD2' ' HB ' ' A' ' 26' ' ' VAL . 1.1 p-10 -113.09 -18.57 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.9 mmmt 53.8 63.58 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.58 ' HB3' ' HD2' ' A' ' 21' ' ' ASP . 7.6 t0 -147.68 107.08 3.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -13.83 26.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 t30 -79.69 -38.24 33.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.23 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.609 ' HB ' ' HD2' ' A' ' 21' ' ' ASP . 4.1 t -87.03 -7.81 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.88 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.9 mt -91.89 -59.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.717 ' CB ' HG11 ' A' ' 57' ' ' VAL . 3.9 ptpp? -53.77 -44.52 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.1 mtpp -67.08 -47.64 70.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.702 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.7 m-20 -48.95 -52.57 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.995 ' CD2' HD21 ' A' ' 11' ' ' LEU . 4.0 t80 -43.69 -56.4 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.424 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 44.4 t0 -49.19 -37.81 23.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -50.48 -56.98 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.7 tp10 -71.17 -56.23 6.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -39.36 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 108.358 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -68.86 -77.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.6 15.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.729 HD21 ' CE2' ' A' ' 39' ' ' PHE . 14.4 tp -77.84 -75.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.729 ' CE2' HD21 ' A' ' 38' ' ' LEU . 7.5 m-85 -93.09 31.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.566 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -49.27 -58.92 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.666 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.633 ' O ' HG21 ' A' ' 41' ' ' THR . 9.2 t -87.72 71.53 9.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.568 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mt -149.3 141.59 15.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.221 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 112.56 3.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.561 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.66 0.59 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' CA ' HG22 ' A' ' 42' ' ' ILE . . . -57.3 -63.11 5.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -61.14 -26.79 67.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.49 -44.37 78.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -73.24 -34.33 65.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 53' ' ' VAL . 73.6 m -51.07 -46.03 61.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.215 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -76.49 -25.11 53.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -89.67 14.08 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.774 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 20.3 t80 -117.41 -42.74 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.787 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.8 m -78.81 53.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 51.9 t30 175.43 40.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.1 t 177.62 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -111.95 -1.19 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.717 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -99.11 -23.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -77.24 -44.45 2.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.625 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.99 -51.19 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 13' ' ' VAL . 15.7 mt -48.26 -47.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.174 HG23 ' CE2' ' A' ' 16' ' ' TYR . 77.1 mt -67.84 -23.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.716 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.54 -17.26 62.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.568 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.99 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.07 -51.09 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.727 HD11 HG12 ' A' ' 13' ' ' VAL . 2.5 mt -65.29 -40.0 93.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.541 ' HB3' ' HH ' ' A' ' 16' ' ' TYR . 1.3 pp20? -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.78 -55.4 9.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.09 43.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.571 ' O ' HD21 ' A' ' 64' ' ' LEU . 1.4 m -123.17 140.34 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.901 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -67.88 163.41 50.19 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.687 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -74.99 -11.64 21.49 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -2.2 29.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.555 ' HB3' HG21 ' A' ' 68' ' ' THR . 7.0 t0 -102.98 -37.13 7.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.901 HG21 ' O ' ' A' ' 69' ' ' ALA . 4.0 t -51.99 -55.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -78.14 66.23 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.574 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -164.83 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.574 ' N ' HG23 ' A' ' 75' ' ' THR . 1.7 mttm -82.82 -17.61 43.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.99 HD22 ' CD ' ' A' ' 63' ' ' GLU . 4.0 mm? -83.07 -5.84 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.91 28.87 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 11.7 pt-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.687 HD12 ' HG3' ' A' ' 8' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -34.67 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.69 -67.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -57.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.774 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 21.9 mtt -51.24 -38.96 55.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.98 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -66.35 -37.13 84.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.536 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 3.8 mt-10 -74.36 -4.75 38.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.851 HD21 ' CD2' ' A' ' 31' ' ' PHE . 51.2 tp -93.06 -48.33 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.907 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.5 m -64.09 -44.82 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.139 HG12 HD11 ' A' ' 64' ' ' LEU . 34.4 m -64.11 -58.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.609 ' N ' HG21 ' A' ' 13' ' ' VAL . 5.5 ttpt -43.98 -32.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' SER . 56.1 mmtt -81.27 -39.92 24.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.959 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -72.24 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' VAL . 30.7 mm-40 -46.28 -38.3 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.49 50.17 0.8 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.729 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -104.14 -43.46 5.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 0.802 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 66.03 10.35 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -119.6 -10.61 9.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mptt 42.51 42.47 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -121.78 115.69 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.388 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.36 -3.24 25.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 m120 -88.93 -46.35 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -83.29 -7.04 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.729 ' CG1' ' HG ' ' A' ' 19' ' ' SER . 60.3 mt -90.56 -53.25 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.5 ptpp? -64.2 -33.0 74.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.0 mtpp -69.25 -51.68 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.764 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -49.01 -49.11 42.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.851 ' CD2' HD21 ' A' ' 11' ' ' LEU . 2.0 t80 -47.46 -55.05 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 8.5 t0 -55.84 -21.16 18.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.35 -56.55 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.7 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.6 tp10 -83.53 16.45 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 6.5 t -117.4 -42.35 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' HA ' HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -63.29 -57.06 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -68.72 -33.43 73.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.8 -56.51 20.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CE2' HD22 ' A' ' 4' ' ' LEU . 4.4 m-30 -122.92 57.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.417 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 2.7 t60 -68.08 -59.73 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' ILE . 5.2 t -52.62 -41.86 64.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.646 HG23 ' HD2' ' A' ' 43' ' ' PRO . 2.4 mm -38.29 141.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.92 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.455 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 11.6 p90 -107.51 30.92 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.634 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -87.56 -75.63 1.28 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 36' ' ' LYS . 47.8 p -57.42 -34.71 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -60.33 -49.24 78.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.774 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -69.83 -37.35 76.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 76.5 m -49.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.24 -27.66 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -87.77 9.52 21.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.98 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 23.8 t80 -114.57 -48.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.595 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 12.1 m -55.94 -22.41 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -134.36 58.29 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -172.51 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.488 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.3 mptt -124.63 15.48 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.59 -46.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -51.45 -44.88 90.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.5 Cg_endo -74.89 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.907 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.5 mt -45.64 -58.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.959 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.28 -22.84 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.22 -52.84 52.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.934 ' OE1' HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.19 -49.91 68.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.139 HD11 HG12 ' A' ' 13' ' ' VAL . 39.1 mt -59.82 -40.57 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HG3' ' HH ' ' A' ' 16' ' ' TYR . 4.9 mt-10 -56.7 -56.48 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.91 -45.55 86.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.84 44.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.7 ' O ' HD21 ' A' ' 64' ' ' LEU . 3.0 m -111.41 138.12 48.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.906 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -57.02 161.95 4.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.51 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.1 Cg_endo -74.97 -12.03 21.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -99.92 -20.82 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' HB3' HG21 ' A' ' 68' ' ' THR . 1.4 m-20 -79.37 -28.89 41.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.906 HG21 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -66.97 -48.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 62.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -179.58 -51.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.622 ' C ' HD21 ' A' ' 77' ' ' LEU . 6.3 mttm -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.934 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.18 34.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 41.49 33.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.485 ' HE2' HG13 ' A' ' 60' ' ' ILE . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.408 ' CD1' HG21 ' A' ' 42' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.23 -36.23 74.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 43.4 t -59.64 -58.13 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.27 -50.56 15.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.572 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 64.3 mtt -47.19 -38.72 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.981 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -59.28 -35.65 74.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 108.257 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 mt-10 -78.52 -6.96 56.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.925 HD21 ' CD2' ' A' ' 31' ' ' PHE . 67.8 tp -89.4 -48.59 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.635 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.8 m -63.63 -51.65 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.031 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -58.0 -58.29 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.623 ' N ' HG21 ' A' ' 13' ' ' VAL . 6.4 ttpt -44.33 -32.45 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.612 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 13.4 mmtt -78.66 -41.72 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.934 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.59 -66.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.996 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.5 mm-40 -40.48 -41.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.27 42.8 1.8 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.701 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.1 p -72.69 -51.11 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 85.27 -13.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -115.65 -28.83 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 66.07 62.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.643 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -144.06 115.59 8.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -10.76 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 2.2 m-20 -80.12 -42.29 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.643 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -83.43 -7.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.0 mt -91.76 -65.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.603 ' HB3' HG11 ' A' ' 57' ' ' VAL . 6.1 ptmt -49.89 -40.2 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 13.2 mtpp -69.43 -56.39 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.765 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.8 m-20 -42.43 -53.59 4.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.925 ' CD2' HD21 ' A' ' 11' ' ' LEU . 12.0 t80 -43.03 -63.41 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 12.0 t70 -44.73 -34.88 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -60.05 -57.46 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.886 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.6 tp10 -88.07 27.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.639 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.4 t -120.85 -56.42 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 5.5 mttt -65.74 -37.22 85.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -76.01 -42.55 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.734 HD22 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -70.29 -58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.734 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 54.6 m-85 -87.24 24.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -58.11 -18.36 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.691 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' ILE . 22.7 p -89.27 -56.42 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' THR . 3.9 mm -28.94 139.88 0.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.548 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.07 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.2 m-85 75.67 -2.52 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.47 -42.34 9.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.46 ' HB ' ' CD ' ' A' ' 36' ' ' LYS . 70.6 p -51.73 -47.18 64.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -52.57 -38.61 60.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -72.59 -35.52 67.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.66 -58.06 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.4 -28.22 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.18 -0.68 41.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.981 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 7.9 t80 -101.99 -29.62 11.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.724 ' O ' HG21 ' A' ' 53' ' ' VAL . 1.2 m -90.31 34.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -179.22 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' ' 59' ' ' PRO . 0.5 OUTLIER 169.55 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.9 mmtp -117.03 -5.47 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.603 HG11 ' HB3' ' A' ' 28' ' ' LYS . 1.7 t -97.39 -47.76 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -51.87 -43.73 89.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.0 Cg_endo -75.05 -56.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.635 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.3 mt -45.4 -58.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.934 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.7 mt -59.61 -22.33 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.13 -30.53 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.764 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -83.47 -57.86 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.031 ' CD1' HG12 ' A' ' 13' ' ' VAL . 4.7 mt -51.3 -46.47 62.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -61.56 -37.97 85.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.31 -27.15 72.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.3 -2.06 6.64 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.463 HG21 ' HB2' ' A' ' 72' ' ' ASP . 3.0 m -70.51 158.17 36.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.897 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -86.08 163.87 41.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.782 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.97 -0.91 10.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -110.85 -8.21 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.463 ' HB2' HG21 ' A' ' 68' ' ' THR . 64.3 m-20 -99.52 -33.98 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.897 HG21 ' O ' ' A' ' 69' ' ' ALA . 17.3 t -59.4 -52.79 56.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.0 70.52 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 175.03 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -75.32 -46.45 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.671 ' HG ' ' HE2' ' A' ' 63' ' ' GLU . 10.6 mt -87.18 17.45 4.29 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 49.55 39.68 17.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.737 ' OE2' HG12 ' A' ' 73' ' ' VAL . 12.3 pt-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -44.93 -33.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 9' ' ' CYS . 4.6 t -57.38 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.7 mt-30 -39.63 -53.05 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.614 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 30.8 mtt -45.29 -36.31 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.862 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -62.75 -41.34 99.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 108.237 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.8 mt-10 -69.64 -6.32 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 34' ' ' GLU . 24.0 tp -94.06 -39.79 10.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.526 HG11 ' CG2' ' A' ' 57' ' ' VAL . 7.0 m -74.49 -43.17 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.965 HG12 HD11 ' A' ' 64' ' ' LEU . 34.2 m -65.58 -60.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.649 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.45 -32.13 2.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 33.7 mmtt -80.7 -34.86 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.121 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.17 -69.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 13' ' ' VAL . 1.2 pp20? -60.5 -16.9 41.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.27 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 30.51 5.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.687 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -82.65 -54.39 5.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.46 -6.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.575 ' HD2' ' HB ' ' A' ' 26' ' ' VAL . 7.0 p-10 -109.82 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 5.1 mmtt 58.74 65.28 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.593 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -149.17 109.39 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.462 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -60.75 -12.62 11.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 3.5 t-20 -78.14 -55.75 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -72.42 -4.97 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.605 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 65.8 mt -88.67 -67.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.672 ' HB3' HG11 ' A' ' 57' ' ' VAL . 8.5 ptmt -51.46 -37.64 49.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 11.6 mtpp -66.93 -48.2 69.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.754 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -49.64 -53.35 24.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.7 t80 -43.55 -58.05 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.29 -28.8 3.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.32 -61.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.616 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.6 tp10 -83.45 25.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 13.6 t -123.64 -47.66 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 108.343 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -63.87 -38.29 90.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.71 -36.45 21.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.513 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.3 tp -65.91 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD2' ' SG ' ' A' ' 35' ' ' CYS . 14.5 m-85 -88.99 27.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -55.33 -51.38 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.616 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 43.1 p -55.17 -46.76 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.69 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.7 mt -43.78 142.94 1.8 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.69 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -106.69 32.83 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.58 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -85.45 -55.1 2.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 38.7 p -59.72 -41.96 92.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.761 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -60.16 -42.67 95.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 3.0 mm-40 -73.19 -28.73 62.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -55.05 -66.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.18 -26.48 60.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.2 0.29 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.862 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 37.6 t80 -112.42 -49.33 2.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.703 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.8 m -52.93 -21.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.54 70.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.6 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.526 1.142 . . . . 0.0 109.975 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.583 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 7.7 mmtt -127.91 3.73 5.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.672 HG11 ' HB3' ' A' ' 28' ' ' LYS . 2.1 t -97.11 -43.67 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -54.6 -44.19 98.86 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.676 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.5 Cg_endo -75.03 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.713 HG12 ' HE2' ' A' ' 79' ' ' GLU . 21.3 mt -45.79 -54.08 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.121 HG23 ' CE2' ' A' ' 16' ' ' TYR . 13.8 mt -61.6 -23.82 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.218 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.676 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.24 -46.84 82.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.786 ' HG2' HD22 ' A' ' 77' ' ' LEU . 1.2 tp10 -60.48 -52.36 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.301 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.965 HD11 HG12 ' A' ' 13' ' ' VAL . 6.0 mt -57.56 -35.69 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.678 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 4.8 mt-10 -64.76 -25.02 67.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.06 -24.32 45.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.4 2.42 7.57 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.668 ' O ' HD21 ' A' ' 64' ' ' LEU . 1.8 m -70.76 141.3 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.905 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -68.52 163.37 54.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.594 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 -21.02 16.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -96.48 3.19 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.6 ' HB3' HG21 ' A' ' 68' ' ' THR . 7.5 t0 -105.9 -32.0 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.905 HG21 ' O ' ' A' ' 69' ' ' ALA . 4.1 t -63.38 -42.74 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.403 ' HA ' ' HG3' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -80.81 66.75 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER 174.38 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' N ' HG23 ' A' ' 75' ' ' THR . 0.9 OUTLIER -59.56 -36.29 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.786 HD22 ' HG2' ' A' ' 63' ' ' GLU . 4.0 mm? -70.52 -6.33 35.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.36 29.49 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.384 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.713 ' HE2' HG12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.72 HD12 ' CE1' ' A' ' 39' ' ' PHE . 3.5 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.7 t -37.95 -37.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.967 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -54.68 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 10' ' ' GLU . 9.4 tp60 -45.74 -51.18 12.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.642 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 31.9 mtt -46.08 -46.17 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.539 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -57.82 -32.15 67.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 108.243 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.521 ' HA ' HG23 ' A' ' 13' ' ' VAL . 18.6 mt-10 -82.43 -3.23 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.917 HD21 ' CE2' ' A' ' 31' ' ' PHE . 61.5 tp -93.46 -44.27 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.831 HG22 HG21 ' A' ' 60' ' ' ILE . 24.5 m -65.94 -37.55 80.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.22 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.026 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -67.68 -58.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.65 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -46.92 -31.81 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.524 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.8 mmtt -81.56 -40.41 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.906 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.01 -68.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' VAL . 50.1 mm-40 -43.73 -42.9 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.26 46.86 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.694 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -81.14 -49.66 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 58.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER 162.83 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.71 62.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.361 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.586 ' HB3' HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -135.07 102.67 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -52.03 -18.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 78.0 m-20 -72.58 -54.67 8.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -72.44 -6.96 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.573 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 93.0 mt -90.75 -73.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HB3' HG11 ' A' ' 57' ' ' VAL . 9.0 ptmt -42.18 -39.64 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 10.2 mtpp -69.99 -45.73 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.185 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.705 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.3 m-20 -52.47 -49.68 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.917 ' CE2' HD21 ' A' ' 11' ' ' LEU . 1.9 t80 -48.45 -50.15 32.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.61 -25.17 37.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.47 -74.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.844 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.3 tp10 -50.11 -28.08 6.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 39' ' ' PHE . 4.1 t -73.97 -37.66 64.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.26 -0.78 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -115.77 -49.81 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.38 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -80.14 -48.64 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CE1' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.53 7.09 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -52.9 63.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.659 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -54.94 -18.98 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 11.6 mm -79.24 140.96 57.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.03 -66.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.481 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -85.81 5.88 30.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' CA ' ' CD2' ' A' ' 39' ' ' PHE . . . -59.54 -76.41 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.8 p -38.49 -34.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.751 . . . . 0.0 110.415 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -65.61 -50.45 65.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.514 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.1 OUTLIER -68.79 -26.09 65.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' TYR . 94.1 m -53.5 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.276 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.79 -24.63 36.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -83.05 0.9 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.616 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 18.2 t80 -113.21 -48.93 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.761 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.6 m -54.52 -18.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 55' ' ' SER . 6.9 m-20 -136.77 72.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 165.81 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 52' ' ' TYR . 13.2 mttp -132.41 9.5 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -97.81 -49.56 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -49.69 -43.56 73.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.703 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -56.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.831 HG21 HG22 ' A' ' 12' ' ' VAL . 10.0 mt -45.87 -59.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.906 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -58.67 -20.52 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.384 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.703 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.56 -29.06 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.862 ' HE2' ' HG1' ' A' ' 68' ' ' THR . 0.2 OUTLIER -82.65 -58.97 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.026 ' CD1' HG12 ' A' ' 13' ' ' VAL . 6.2 mt -50.98 -44.68 60.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.58 -31.91 73.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.53 64.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.34 -14.79 1.86 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.862 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 1.9 m -61.67 154.48 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.942 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -80.12 169.38 20.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.99 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.98 -15.26 20.88 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 14.45 23.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 81.3 m-20 -124.77 -0.38 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.942 HG21 ' O ' ' A' ' 69' ' ' ALA . 41.1 t -89.31 -38.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 79' ' ' GLU . 1.7 m -71.06 -6.54 39.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -114.65 -19.67 11.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.476 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.742 ' HG3' HD21 ' A' ' 77' ' ' LEU . 6.1 tptt -67.51 -70.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.742 HD21 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -86.33 32.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 37.62 31.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 8.3 mm-40 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.22 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.556 HD12 ' CE1' ' A' ' 39' ' ' PHE . 1.9 mm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -35.02 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' CYS . 37.2 t -68.95 -76.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -39.49 -51.9 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 1.009 ' HE3' ' SG ' ' A' ' 49' ' ' CYS . 54.2 mtt -47.14 -40.57 15.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 1.168 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.676 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -58.99 -33.42 70.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.476 ' HA ' HG23 ' A' ' 13' ' ' VAL . 31.5 tt0 -79.94 -6.07 56.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.783 HD22 ' O ' ' A' ' 31' ' ' PHE . 53.2 tp -91.19 -44.27 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.719 HG11 HG21 ' A' ' 57' ' ' VAL . 16.5 m -68.01 -50.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.009 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -60.9 -59.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.629 ' N ' HG21 ' A' ' 13' ' ' VAL . 11.9 ttpt -44.67 -34.31 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' SER . 32.3 mmtt -77.13 -41.05 43.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.963 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.56 -71.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.7 mm-40 -36.91 -41.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.13 52.94 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.602 1.189 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.664 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -92.27 -45.9 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.23 -7.94 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -114.34 -22.15 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 2.4 mppt? 52.26 66.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.566 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -148.03 116.59 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -8.6 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.5 m-20 -82.87 -49.43 9.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -79.37 -10.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.684 HG21 ' HB2' ' A' ' 16' ' ' TYR . 62.9 mt -89.8 -74.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.487 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.0 ptmt -39.32 -44.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 14.0 mtpp -65.1 -52.47 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.8 m-20 -45.25 -55.28 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.783 ' O ' HD22 ' A' ' 11' ' ' LEU . 3.6 t80 -41.75 -52.1 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -51.8 -46.82 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.21 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.72 ' CB ' HD11 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -45.45 -44.59 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.618 ' SG ' ' CD2' ' A' ' 11' ' ' LEU . 24.9 m -55.81 -42.76 76.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.8 mtpt -74.71 -0.18 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.89 -47.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.505 HD22 ' CD2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -100.17 -48.55 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE1' HD12 ' A' ' 4' ' ' LEU . 14.8 m-85 -85.94 14.34 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -64.25 -58.95 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.598 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.582 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 81.3 p -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.426 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -72.36 138.84 81.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.12 -74.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.55 -19.94 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.39 -47.2 63.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.411 1.069 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.1 p -73.09 -39.56 65.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -63.75 -45.15 91.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.3 OUTLIER -71.78 -39.53 69.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 1.009 ' SG ' ' HE3' ' A' ' 8' ' ' MET . 1.3 m -59.33 -44.86 92.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 108.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.46 -22.91 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.72 6.45 48.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 21.4 t80 -104.2 -36.66 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.813 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.2 m -82.36 51.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 55' ' ' SER . 10.7 t30 179.56 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.1 m 163.62 -28.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.532 ' O ' HD13 ' A' ' 60' ' ' ILE . 14.1 mmtt -118.99 -1.2 11.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.719 HG21 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.5 -43.48 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -57.75 -43.64 98.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -75.0 -50.89 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.594 HG21 ' CG2' ' A' ' 12' ' ' VAL . 13.2 mt -49.16 -45.38 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.963 HG23 ' CE2' ' A' ' 16' ' ' TYR . 62.9 mt -73.08 -18.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.714 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -70.49 -27.87 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.869 ' HE2' ' HG1' ' A' ' 68' ' ' THR . 0.0 OUTLIER -81.54 -52.25 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.009 HD11 HG12 ' A' ' 13' ' ' VAL . 4.8 mt -60.09 -40.93 91.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 1.8 pp20? -70.68 -25.37 62.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.22 -38.05 30.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.4 -16.87 1.67 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.869 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 2.7 m -63.98 155.59 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.927 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -85.52 168.58 19.32 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.881 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -74.91 -17.99 19.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 10.26 41.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' CB ' HG21 ' A' ' 68' ' ' THR . 38.9 m-20 -115.71 -38.04 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.927 HG21 ' O ' ' A' ' 69' ' ' ALA . 3.1 t -56.17 -47.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.88 57.5 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -156.74 -58.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 0.0 110.451 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.534 ' N ' HG23 ' A' ' 75' ' ' THR . 4.0 mttt -79.56 -38.4 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -67.17 -7.12 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.89 35.17 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 12.6 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.983 HD21 ' N ' ' A' ' 5' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.983 ' N ' HD21 ' A' ' 4' ' ' LEU . 8.4 t -46.08 -41.76 12.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.061 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.75 -63.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.39 -47.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.633 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 39.8 mtt -51.4 -42.25 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.959 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -59.65 -31.44 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.521 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -80.11 -8.48 59.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.904 HD21 ' CD2' ' A' ' 31' ' ' PHE . 56.3 tp -90.64 -42.54 10.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.76 HG11 HG21 ' A' ' 57' ' ' VAL . 11.0 m -68.48 -48.37 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.781 HG12 HD11 ' A' ' 64' ' ' LEU . 29.9 m -60.82 -58.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.612 ' N ' HG21 ' A' ' 13' ' ' VAL . 8.3 tttp -43.73 -32.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -81.51 -40.54 23.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.031 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.47 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.823 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.7 mm-40 -46.73 -38.47 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.54 37.17 3.95 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.643 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.5 t -87.73 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.18 -1.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.545 ' HD2' ' HB ' ' A' ' 26' ' ' VAL . 14.2 p-10 -111.73 -15.9 13.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 3.3 mmmt 51.23 56.65 7.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.557 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -140.18 113.12 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -5.19 24.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' HA ' ' HZ3' ' A' ' 28' ' ' LYS . 4.6 t-20 -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.09 -11.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.595 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.7 mt -85.8 -74.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 2.0 ptpp? -41.99 -36.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 15.7 mtpp -67.54 -47.57 69.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.761 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.71 -47.52 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.904 ' CD2' HD21 ' A' ' 11' ' ' LEU . 4.5 t80 -45.79 -54.8 7.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -57.92 -23.88 55.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.4 -73.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.225 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.802 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.5 tp10 -52.93 -29.61 29.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -67.12 -54.79 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 4.4 mmmm -50.42 -17.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 19.7 mtpp -102.11 -68.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.482 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -54.06 -52.17 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.49 ' O ' HG21 ' A' ' 46' ' ' THR . 35.1 m-85 -88.62 36.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.693 ' C ' HG23 ' A' ' 41' ' ' THR . 2.8 t-160 -91.59 70.74 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.693 HG23 ' C ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER 164.53 -40.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.696 HG23 ' HD2' ' A' ' 43' ' ' PRO . 33.5 mm -40.12 142.96 0.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.696 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.93 26.23 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.2 OUTLIER 162.29 39.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.1 -62.6 1.0 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.49 HG21 ' O ' ' A' ' 39' ' ' PHE . 31.2 p -61.8 -30.17 70.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -72.14 -67.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.633 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -52.13 -26.97 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 2.0 m -61.85 -55.08 33.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -57.5 -17.46 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.534 ' HB3' ' HE2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -105.03 5.23 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.959 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 27.2 t80 -104.14 -51.94 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 31' ' ' PHE . 10.4 m -49.48 -35.72 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.407 ' C ' ' OG ' ' A' ' 55' ' ' SER . 10.7 m120 -105.29 31.67 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.677 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -174.78 98.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.538 1.149 . . . . 0.0 110.024 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.677 ' CB ' ' O ' ' A' ' 55' ' ' SER . 13.8 mmtt 102.88 0.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.76 HG21 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -98.31 -22.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.661 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 t0 -78.31 -42.17 2.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.1 Cg_endo -75.07 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.587 1.835 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.614 HG23 HG11 ' A' ' 73' ' ' VAL . 53.9 mt -46.45 -48.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.031 HG23 ' CE2' ' A' ' 16' ' ' TYR . 81.8 mt -66.21 -27.33 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.694 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.17 -14.41 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.599 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 1.057 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -82.94 -50.43 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.395 1.06 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.952 HD21 ' O ' ' A' ' 68' ' ' THR . 0.9 OUTLIER -70.87 -27.45 63.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.597 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 1.6 mt-10 -68.1 -38.27 82.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.82 -51.92 6.76 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.67 42.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.952 ' O ' HD21 ' A' ' 64' ' ' LEU . 25.1 m -120.27 119.1 32.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.595 0.82 . . . . 0.0 110.383 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.729 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -51.86 163.79 0.62 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.814 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.03 -19.11 18.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 10.6 37.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.75 -38.29 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.75 HG23 ' HB3' ' A' ' 63' ' ' GLU . 11.0 t -51.62 -53.37 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.498 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.7 m -75.66 73.51 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER 179.23 -63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 75' ' ' THR . 6.5 tttp -73.53 -28.0 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 1.057 HD22 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -72.93 -2.15 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.93 23.93 14.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.742 ' HE2' HG12 ' A' ' 73' ' ' VAL . 5.4 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 8' ' ' MET . 1.6 mp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -48.66 -64.53 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 7' ' ' GLN . 13.2 m -61.04 -68.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 6' ' ' CYS . 3.3 mm-40 -33.04 -63.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.592 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 33.7 mtt -45.42 -47.05 13.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.916 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 2.5 t -60.6 -33.04 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.5 ' HA ' HG23 ' A' ' 13' ' ' VAL . 18.8 mt-10 -80.55 -4.95 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.853 HD22 ' O ' ' A' ' 31' ' ' PHE . 38.4 tp -92.66 -40.16 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.855 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.9 m -72.96 -49.64 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.03 HG12 HD11 ' A' ' 64' ' ' LEU . 34.8 m -61.48 -58.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.615 ' N ' HG21 ' A' ' 13' ' ' VAL . 2.1 ttpp -44.89 -33.89 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 48.6 mmtt -77.94 -40.11 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.993 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.68 -67.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 mm-40 -39.69 -40.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.13 48.91 0.9 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.683 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.4 p -80.46 -54.75 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.75 -7.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -116.93 -9.2 11.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt 43.25 70.52 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.64 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -154.19 109.15 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.471 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -61.48 -12.83 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.436 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 5.6 t-20 -78.94 -40.0 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.64 HG21 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -85.87 -4.62 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.761 HG21 ' HB2' ' A' ' 16' ' ' TYR . 71.4 mt -94.04 -50.63 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.769 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.2 ptmt -67.6 -30.76 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.4 mtpp -75.05 -49.4 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -52.75 -50.46 63.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.853 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -52.74 -38.0 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.828 ' HD2' ' HZ3' ' A' ' 36' ' ' LYS . 22.8 t70 -66.47 -30.23 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.73 -72.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.1 tp10 -48.18 -40.66 24.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.581 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 52.8 t -59.38 -55.71 31.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.828 ' HZ3' ' HD2' ' A' ' 32' ' ' ASP . 31.8 mttt -59.25 -5.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -100.76 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -61.43 -48.64 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 18.4 m-85 -85.64 34.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 36' ' ' LYS . 30.4 t60 -89.4 -36.96 15.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.629 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.3 p -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.375 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -62.68 140.1 97.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 6.2 m-85 -155.56 19.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.438 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -67.17 -58.78 7.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.416 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 73.7 p -55.07 -34.18 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -65.57 -49.18 69.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.683 ' HE2' ' HD1' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -70.75 -25.24 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.455 ' O ' HG13 ' A' ' 53' ' ' VAL . 88.7 m -53.55 -55.82 22.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.683 ' HD1' ' HE2' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -86.83 2.23 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.533 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.916 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 13.2 t80 -115.05 -42.71 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.788 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.2 m -81.45 48.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' SER . 64.6 t30 175.24 47.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.4 m 158.93 -23.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.067 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -119.34 -7.82 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.769 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -97.79 -48.61 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.638 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.48 -44.16 88.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.714 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.88 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.855 HG21 ' CG2' ' A' ' 12' ' ' VAL . 10.7 mt -43.57 -56.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.993 HG23 ' CE2' ' A' ' 16' ' ' TYR . 2.4 mt -58.8 -24.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.714 ' CG ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -62.99 -28.89 70.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.615 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.908 ' HE2' ' HG1' ' A' ' 68' ' ' THR . 0.3 OUTLIER -77.27 -50.85 11.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.03 HD11 HG12 ' A' ' 13' ' ' VAL . 22.4 mt -58.94 -37.48 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.61 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 3.7 mt-10 -69.65 -28.27 65.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.28 -40.61 19.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.16 -13.14 2.33 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.908 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 5.1 m -61.66 142.67 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.397 0.704 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.874 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -71.43 168.05 24.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.01 -21.72 15.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -96.66 10.24 39.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.509 ' HB3' HG21 ' A' ' 68' ' ' THR . 4.1 m-20 -114.4 -35.07 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.874 HG21 ' O ' ' A' ' 69' ' ' ALA . 3.2 t -58.55 -41.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.61 62.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.48 -59.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -67.98 -23.53 65.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.678 HD11 ' CE1' ' A' ' 62' ' ' HIS . 4.4 mm? -86.16 12.28 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m120 49.71 29.56 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.757 ' HE2' HG12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -48.83 -50.31 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 1.3 t -48.31 -51.98 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tp60 -50.59 -52.94 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.571 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 55.5 mtt -49.26 -39.18 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.013 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -60.09 -31.9 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' HG23 ' A' ' 13' ' ' VAL . 3.2 mt-10 -80.24 -6.71 58.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 1.012 HD21 ' CD2' ' A' ' 31' ' ' PHE . 34.9 tp -93.25 -37.86 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.732 ' CG2' HG21 ' A' ' 60' ' ' ILE . 9.4 m -73.72 -33.86 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.938 HG12 HD11 ' A' ' 64' ' ' LEU . 23.3 m -70.63 -58.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.646 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -48.81 -33.34 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.359 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.2 mmtt -78.06 -40.49 38.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.169 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.54 -71.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.7 mm-40 -37.33 -41.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.246 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.68 54.0 0.59 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.678 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -91.03 -49.86 6.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 0.749 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 -10.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -115.64 -12.01 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt 44.92 63.56 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' OD2' HG21 ' A' ' 26' ' ' VAL . 28.4 t0 -138.76 110.06 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -14.14 14.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.492 ' HA ' ' HZ3' ' A' ' 28' ' ' LYS . 25.7 m-20 -79.71 -59.33 2.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.453 HG21 ' OD2' ' A' ' 23' ' ' ASP . 2.0 t -69.76 -7.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.76 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.6 mt -91.18 -59.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.687 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.9 ptpp? -50.96 -40.37 57.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 13.9 mtpp -68.56 -49.85 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.765 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.7 m-20 -45.25 -49.86 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 1.012 ' CD2' HD21 ' A' ' 11' ' ' LEU . 9.5 t80 -46.85 -63.31 1.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 27.8 t0 -44.79 -40.39 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -48.88 -62.92 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.989 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -82.04 14.71 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 1.3 t -100.09 -63.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.085 . . . . 0.0 108.327 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.448 ' HA ' HG23 ' A' ' 46' ' ' THR . 1.0 OUTLIER -59.88 -29.8 68.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -79.81 -54.56 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.619 ' C ' HD21 ' A' ' 38' ' ' LEU . 2.5 tt -60.48 -57.42 12.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HD1' HD13 ' A' ' 42' ' ' ILE . 25.9 m-85 -88.14 30.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.53 ' CD2' HG21 ' A' ' 41' ' ' THR . 0.7 OUTLIER -57.71 -18.62 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.53 HG21 ' CD2' ' A' ' 40' ' ' HIS . 72.4 p -127.78 72.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.394 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.5 mt -149.48 142.2 15.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.11 106.96 2.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 77.15 -3.86 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.95 -59.86 7.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.448 HG23 ' HA ' ' A' ' 36' ' ' LYS . 68.8 p -59.62 -34.55 72.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -63.4 -45.27 91.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.505 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -69.48 -32.7 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 83.2 m -48.9 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.76 -29.59 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.17 9.9 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 1.013 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 14.6 t80 -114.88 -40.39 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.796 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.4 m -83.49 52.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t30 173.13 43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.68 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.563 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -116.31 -3.97 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.687 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.2 t -98.11 -20.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.07 -45.28 2.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.5 Cg_endo -74.96 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.732 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.2 mt -47.51 -49.22 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.169 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.9 mt -65.94 -25.8 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.731 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -73.12 -18.43 61.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.593 ' CB ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -81.86 -56.96 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.289 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.938 HD11 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -63.65 -47.73 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.819 ' HB3' ' HH ' ' A' ' 16' ' ' TYR . 0.9 OUTLIER -60.74 -27.89 68.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.41 -42.22 23.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.84 -20.35 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 3.5 m -59.35 165.65 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.691 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -98.24 165.42 15.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.89 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -75.01 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 6.07 9.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -114.86 -15.26 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.691 HG21 ' O ' ' A' ' 69' ' ' ALA . 1.9 t -69.51 -48.23 67.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 51.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.82 -60.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -30.7 70.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -88.81 15.76 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.7 22.31 1.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.529 ' OE1' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.71 85.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.04 -148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.945 HD23 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.12 -13.37 35.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.705 ' N ' HD13 ' A' ' 4' ' ' LEU . 4.4 p -44.97 -49.17 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLN . 34.8 m -58.13 -55.6 32.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -34.93 -59.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.553 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 9.3 mtt -46.19 -48.97 17.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.966 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -55.56 -31.94 62.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 tt0 -83.75 -4.52 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.657 HD11 ' CD ' ' A' ' 34' ' ' GLU . 41.2 tp -92.43 -41.51 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.636 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 16.5 m -71.62 -49.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.924 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.7 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.603 ' N ' HG21 ' A' ' 13' ' ' VAL . 5.6 ttpp -44.95 -32.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 63.0 mmtt -82.5 -36.11 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.084 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.24 -67.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 2.8 pp20? -52.92 -29.44 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.44 67.58 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.74 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.7 t -104.51 -94.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.054 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 19' ' ' SER . . . 160.25 -35.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.08 -15.7 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 69.3 32.33 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.425 ' HB3' HG21 ' A' ' 26' ' ' VAL . 7.1 m-20 -92.92 114.81 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' O ' ' HD2' ' A' ' 28' ' ' LYS . . . -66.55 -10.16 42.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -85.72 -53.81 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -76.15 -5.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 16' ' ' TYR . 19.7 mt -85.5 -52.49 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HE3' HG11 ' A' ' 57' ' ' VAL . 3.4 ptmt -63.39 -24.37 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -71.99 -48.87 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.862 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.4 m-20 -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.744 ' CD1' HG12 ' A' ' 53' ' ' VAL . 8.6 t80 -55.02 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.702 ' HD2' ' CG ' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -56.03 -20.9 18.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.862 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -55.79 -72.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.657 ' CD ' HD11 ' A' ' 11' ' ' LEU . 1.5 pt-20 -73.21 -39.35 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.597 ' HB2' HD22 ' A' ' 11' ' ' LEU . 4.6 t -46.73 -24.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HA ' HG23 ' A' ' 46' ' ' THR . 0.4 OUTLIER -85.18 -60.55 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LEU . 26.6 mtpt -66.09 -63.74 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.684 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -40.12 -46.6 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.684 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.3 m-30 -116.94 49.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -77.29 -22.74 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.6 p -110.05 42.77 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.7 HG23 ' HD2' ' A' ' 43' ' ' PRO . 19.7 mm -117.67 143.07 31.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.7 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 2.1 t80 76.28 0.04 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -53.95 -65.07 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.578 HG23 ' HA ' ' A' ' 36' ' ' LYS . 76.5 p -58.11 -30.8 66.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.456 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' C ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -64.23 -56.31 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 1.2 tm-20 -64.54 -29.78 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -49.14 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 108.309 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.702 ' CG ' ' HD2' ' A' ' 32' ' ' ASP . 0.3 OUTLIER -55.91 -25.07 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -83.78 4.05 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.966 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 33.6 t80 -112.76 -45.46 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.744 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.9 m -57.09 -17.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -136.04 69.34 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m 172.61 -34.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.452 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 8.9 mmtp -128.53 11.71 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.623 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -97.5 -45.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.653 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.93 -43.91 97.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.683 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.94 -55.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.595 HG21 ' CG2' ' A' ' 12' ' ' VAL . 11.1 mt -46.57 -55.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.084 HG23 ' CE2' ' A' ' 16' ' ' TYR . 9.0 mt -62.44 -21.31 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.683 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.32 -44.74 86.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.977 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -60.22 -60.63 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.924 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.61 -16.87 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 2.0 mt-10 -74.78 -31.7 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.35 -36.52 8.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.77 43.06 0.1 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.583 HG23 HG23 ' A' ' 73' ' ' VAL . 1.6 m -108.38 149.46 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.841 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -81.51 162.27 58.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.0 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.1 -25.22 11.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.841 HG21 ' O ' ' A' ' 69' ' ' ALA . 2.2 t -70.13 -54.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 67.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.599 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -178.77 -64.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.599 ' N ' HG23 ' A' ' 75' ' ' THR . 0.6 OUTLIER -74.74 -25.59 59.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.977 HD22 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -82.42 10.54 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . 70.9 m-20 38.98 33.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' OE1' ' CG1' ' A' ' 60' ' ' ILE . 17.9 pt-20 -95.73 -41.24 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.584 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -50.59 -48.88 81.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 108.272 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.532 1.806 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -95.33 102.06 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.31 -146.02 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.414 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.772 HD21 ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -75.45 -3.04 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -40.86 69.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.612 ' HB2' ' CA ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -58.77 -51.21 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.85 -50.55 18.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.622 ' HE1' HD22 ' A' ' 4' ' ' LEU . 15.0 mtt -47.4 -44.16 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.013 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -58.4 -29.99 66.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.62 ' HE2' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -82.88 -7.21 59.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 31' ' ' PHE . 35.4 tp -89.64 -46.27 8.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.591 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.2 m -64.56 -53.12 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.848 HG12 HD11 ' A' ' 64' ' ' LEU . 27.9 m -58.55 -58.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.62 ' HD3' ' HE2' ' A' ' 10' ' ' GLU . 3.1 ttpt -45.52 -30.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' SER . 64.6 mmtt -81.01 -37.67 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.973 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -76.66 -67.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HG2' ' CG ' ' A' ' 70' ' ' PRO . 2.8 pp20? -47.26 -36.23 8.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 17' ' ' GLU . . . -115.89 48.2 0.96 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.727 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -98.33 -52.65 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.29 -4.93 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 -14.74 14.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 47.32 43.81 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 15.1 t0 -125.36 117.11 23.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -72.24 -5.89 39.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 9.0 m-80 -88.02 -51.23 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.4 -9.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.727 ' CG1' ' HG ' ' A' ' 19' ' ' SER . 31.2 mt -84.51 -67.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 7.3 ptpp? -52.45 -34.97 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 18.2 mtpp -66.28 -43.16 87.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.669 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.36 -48.93 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.748 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.1 t80 -45.26 -53.83 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -23.77 63.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.4 -69.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.67 ' HB3' HD11 ' A' ' 11' ' ' LEU . 16.6 tp10 -53.55 -28.29 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -46.16 51.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -53.0 -19.97 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -107.03 -43.94 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.9 tp -64.46 -64.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.772 ' CE1' HD21 ' A' ' 4' ' ' LEU . 53.0 m-85 -88.71 33.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.592 ' CE1' ' CG2' ' A' ' 41' ' ' THR . 0.0 OUTLIER -67.67 -22.54 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.592 ' CG2' ' CE1' ' A' ' 40' ' ' HIS . 66.2 p -116.38 61.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.739 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.4 mt -146.01 143.65 19.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 106.57 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 77.03 -2.43 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.01 -45.15 51.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -70.95 -31.92 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 110.428 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -65.54 -61.14 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.7 OUTLIER -53.12 -28.98 28.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.543 ' O ' HG13 ' A' ' 53' ' ' VAL . 2.3 m -61.55 -53.77 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.73 -12.33 33.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.412 ' O ' ' OG ' ' A' ' 55' ' ' SER . 2.1 m80 -104.91 2.71 30.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 109.565 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 1.013 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 43.3 t80 -107.79 -43.96 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.748 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.2 m -56.47 -18.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -133.66 54.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 51' ' ' HIS . 71.2 m -164.52 -50.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -113.76 11.06 17.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.6 t -95.87 -50.44 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.641 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 t0 -47.76 -44.6 57.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.94 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.591 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.8 mt -48.32 -58.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.973 HG23 ' CE2' ' A' ' 16' ' ' TYR . 4.1 mt -58.82 -21.6 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.638 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -63.5 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.97 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -79.32 -56.65 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.889 ' HG ' HG22 ' A' ' 73' ' ' VAL . 72.7 mt -45.07 -42.68 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.831 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 37.7 mt-10 -62.94 -39.68 95.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . . . -61.97 -37.31 94.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.58 -8.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.738 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 3.9 m -60.77 161.85 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.895 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -82.87 161.99 56.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.853 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.0 Cg_endo -75.07 -6.77 18.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 3.77 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.43 ' HB3' HG21 ' A' ' 68' ' ' THR . 27.0 t70 -112.47 -29.61 7.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.97 HG23 ' HB3' ' A' ' 63' ' ' GLU . 54.7 t -45.62 -93.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.557 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.68 -47.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.673 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -38.01 -70.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.673 ' N ' HG23 ' A' ' 75' ' ' THR . 7.7 ptpt -67.71 -26.29 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.533 HD22 ' CG ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -79.47 9.73 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' CYS . 2.3 m120 42.04 28.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' HE2' ' HE1' ' A' ' 52' ' ' TYR . 4.7 tm-20 -106.91 66.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.612 ' CA ' ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 169.43 -54.47 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 108.324 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.2 OUTLIER 176.12 46.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.027 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 177.53 -64.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' SER . 3.7 mm? -47.34 -59.04 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 71.1 p -37.1 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -64.59 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -38.61 -52.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.57 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 44.5 mtt -50.82 -35.77 34.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.954 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -60.54 -33.65 72.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 108.334 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.564 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.3 tp10 -79.51 -8.5 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.995 HD11 ' HB3' ' A' ' 34' ' ' GLU . 36.7 tp -90.65 -40.17 12.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 11.5 m -73.4 -49.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.911 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -57.92 -58.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.623 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -77.41 -39.53 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.959 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -75.31 -67.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.984 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' VAL . 8.3 mm-40 -39.56 -40.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.12 48.12 0.97 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.167 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.67 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.8 p -80.97 -55.8 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.07 -7.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.633 ' HD2' ' HB ' ' A' ' 26' ' ' VAL . 16.0 p-10 -114.96 -11.59 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.7 mmmt 47.52 62.06 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.542 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -144.75 120.63 10.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.97 -1.72 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.8 m-80 -86.82 -46.84 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.633 ' HB ' ' HD2' ' A' ' 21' ' ' ASP . 1.6 t -78.74 -16.31 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 63.7 mt -77.2 -68.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.576 ' O ' HG11 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -51.42 -34.12 33.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 17.8 mtpp -67.79 -64.87 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.74 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 51.6 m-20 -41.98 -49.79 4.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.966 ' CD2' HD21 ' A' ' 11' ' ' LEU . 4.2 t80 -42.47 -57.78 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.453 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 7.4 t70 -53.73 -30.05 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.74 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.1 -52.85 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.995 ' HB3' HD11 ' A' ' 11' ' ' LEU . 39.6 tp10 -79.2 -7.64 58.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.588 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -77.57 -50.78 11.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 108.355 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 3.2 mtpt -66.28 -27.42 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -81.6 -55.93 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.604 HD23 ' CE1' ' A' ' 39' ' ' PHE . 6.1 tt -63.11 -57.69 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE1' HD23 ' A' ' 38' ' ' LEU . 9.1 m-85 -85.91 30.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -58.41 -29.87 66.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.7 p -119.69 70.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.701 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.1 mt -147.6 142.94 17.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.701 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 99.7 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 1.3 t80 76.3 0.86 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.38 -59.6 5.16 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.58 1.175 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.406 ' CB ' ' HE3' ' A' ' 36' ' ' LYS . 32.2 p -63.32 -39.98 96.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -36.05 61.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 2.2 tp10 -78.26 -35.45 48.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.498 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -54.99 -41.82 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -38.37 87.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -85.88 12.46 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.954 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 44.7 t80 -111.07 -48.77 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 31.7 m -53.49 -19.78 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.42 69.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.58 -33.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 22.6 mttt -129.69 5.27 5.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -95.57 -45.2 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.639 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -50.59 -44.84 84.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -75.0 -56.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.825 HG12 ' HE2' ' A' ' 79' ' ' GLU . 26.5 mt -45.32 -57.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.959 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -59.08 -23.19 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.603 ' CE1' ' CD ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -64.62 -46.04 84.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.828 ' HE2' HD11 ' A' ' 77' ' ' LEU . 1.7 mp0 -60.42 -51.26 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.911 HD11 HG12 ' A' ' 13' ' ' VAL . 24.3 mt -59.86 -37.61 79.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 4.4 mt-10 -59.5 -50.01 75.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.16 96.68 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.82 43.14 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.808 ' O ' HD21 ' A' ' 64' ' ' LEU . 1.7 m -113.74 131.09 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.729 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -56.46 162.53 3.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.435 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.95 -15.64 20.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.07 3.58 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -107.55 -32.24 7.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.729 HG21 ' O ' ' A' ' 69' ' ' ALA . 2.3 t -68.64 -46.99 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.503 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.9 m -79.58 67.4 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.98 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -75.58 -26.53 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.828 HD11 ' HE2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -85.37 10.85 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.242 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.78 34.04 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.825 ' HE2' HG12 ' A' ' 60' ' ' ILE . 18.4 pt-20 -109.16 12.72 24.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.448 ' CB ' ' HB3' ' A' ' 74' ' ' CYS . 33.8 t -177.34 96.16 0.23 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 108.307 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t 179.09 130.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.35 -153.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.652 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -41.1 -38.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' CYS . 7.2 t -52.2 -65.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' GLU . 8.6 tp60 -43.05 -55.23 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.712 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 14.6 mtt -49.83 -27.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.867 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -66.66 -33.29 75.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.462 ' HA ' HG23 ' A' ' 13' ' ' VAL . 22.1 tt0 -79.23 -8.74 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.968 HD21 ' CE2' ' A' ' 31' ' ' PHE . 65.0 tp -89.52 -43.96 10.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.74 HG11 HG21 ' A' ' 57' ' ' VAL . 17.9 m -67.29 -51.84 48.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.783 HG12 HD11 ' A' ' 64' ' ' LEU . 33.9 m -59.13 -57.4 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.602 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -46.05 -31.1 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.703 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 27.6 mmtt -82.34 -37.68 25.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.001 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -73.13 -66.29 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.533 ' CD ' HD23 ' A' ' 64' ' ' LEU . 12.3 mm-40 -45.2 -42.75 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.17 51.48 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.83 ' HG ' HG13 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -88.74 -48.92 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 87.1 58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER 162.12 -26.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 66.07 48.09 1.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' HB2' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -113.18 111.37 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -7.4 18.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -85.57 -56.1 3.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 23' ' ' ASP . 1.9 t -73.69 -7.07 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.83 HG13 ' HG ' ' A' ' 19' ' ' SER . 47.1 mt -86.76 -76.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' N ' HG22 ' A' ' 27' ' ' ILE . 5.1 ptpp? -42.15 -38.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 15.0 mtpp -64.97 -46.78 80.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.703 ' CG ' ' HZ3' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -50.75 -52.13 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.968 ' CE2' HD21 ' A' ' 11' ' ' LEU . 3.4 t80 -44.31 -52.14 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.92 ' HD2' ' CG ' ' A' ' 50' ' ' ASP . 3.7 t0 -60.11 -31.79 70.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.91 -69.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.598 1.186 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.551 ' HB3' HD11 ' A' ' 11' ' ' LEU . 6.1 tp10 -47.34 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.743 ' HA ' HD21 ' A' ' 38' ' ' LEU . 49.0 t -45.38 -56.61 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 4.2 mmtp -39.62 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -99.18 -54.88 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -48.63 -44.4 37.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CD2' HD13 ' A' ' 42' ' ' ILE . 4.5 m-30 -116.85 46.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.707 ' CE1' HG21 ' A' ' 41' ' ' THR . 26.9 p-80 -67.3 -34.25 76.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.707 HG21 ' CE1' ' A' ' 40' ' ' HIS . 32.3 p -77.74 -44.92 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.784 HD13 ' CD2' ' A' ' 39' ' ' PHE . 3.5 mt -49.64 142.41 12.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.08 -94.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.46 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 17.1 p90 -50.61 -26.05 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -35.07 -61.92 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.6 p -59.04 -38.67 79.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.373 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 8.3 mtt180 -64.57 -58.93 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.712 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.7 OUTLIER -55.44 -39.34 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.572 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -63.23 -42.47 99.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.92 ' CG ' ' HD2' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -72.58 -5.29 36.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 1.85 15.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.867 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 66.8 t80 -101.82 -40.63 6.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.743 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -56.68 -17.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.04 64.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -175.05 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.5 mttt -128.8 10.06 5.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.74 HG21 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -95.07 -47.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.637 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.11 -44.56 80.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -57.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.836 HG23 HG11 ' A' ' 73' ' ' VAL . 23.6 mt -44.61 -59.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.001 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.13 -23.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -68.58 -25.4 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.915 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -76.55 -51.35 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.345 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.9 HD21 ' O ' ' A' ' 68' ' ' THR . 6.5 mt -64.91 -27.91 69.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.497 ' HG3' ' HH ' ' A' ' 16' ' ' TYR . 2.9 mt-10 -66.74 -48.03 70.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.21 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.9 ' O ' HD21 ' A' ' 64' ' ' LEU . 3.4 m -115.38 135.81 53.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 1.035 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -65.87 170.58 4.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.03 -20.54 16.7 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -7.78 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.468 ' CB ' HG21 ' A' ' 68' ' ' THR . 4.3 m-20 -98.01 -37.53 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.035 HG21 ' O ' ' A' ' 69' ' ' ALA . 61.0 t -50.09 -54.32 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.533 ' HA ' ' HG3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.76 54.82 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 108.241 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -145.43 -56.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' N ' ' CG2' ' A' ' 75' ' ' THR . 11.2 ptmt -82.82 -25.79 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HG ' ' HE2' ' A' ' 63' ' ' GLU . 5.2 mt -77.33 1.21 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.7 16.75 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.395 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.709 ' HE2' ' HB2' ' A' ' 9' ' ' CYS . 1.4 pp20? -99.82 56.86 0.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 0.2 OUTLIER 166.12 150.52 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.451 1.763 . . . . 0.0 111.044 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.9 OUTLIER 79.03 50.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.95 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.05 -83.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.687 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -74.09 -37.93 64.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -51.02 -39.93 57.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.08 -58.88 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.8 mt-30 -50.46 -55.02 17.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.082 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.584 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 8.8 mtt -47.65 -43.46 26.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.913 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 1.1 t -58.68 -30.7 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.541 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.0 mt-10 -79.46 -8.83 59.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.904 HD21 ' CE2' ' A' ' 31' ' ' PHE . 62.9 tp -91.06 -40.05 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.703 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.0 m -72.73 -46.95 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.945 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -61.81 -59.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG21 ' A' ' 13' ' ' VAL . 4.1 tttp -45.11 -32.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 19' ' ' SER . 42.8 mmtt -78.13 -40.46 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.083 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.18 -71.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 2.4 pp20? -40.82 -36.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.4 46.59 1.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.609 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.53 -51.34 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 78.08 0.65 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.96 -11.57 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 44.82 50.5 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.561 ' OD2' HG21 ' A' ' 26' ' ' VAL . 11.2 t0 -135.47 107.7 7.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.83 -10.69 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.9 t-20 -81.1 -50.22 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.561 HG21 ' OD2' ' A' ' 23' ' ' ASP . 2.5 t -76.72 -7.69 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.796 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.6 mt -88.98 -65.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.619 ' HB3' HG11 ' A' ' 57' ' ' VAL . 5.9 ptpp? -51.43 -40.13 58.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.6 mtpp -65.21 -47.51 76.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.715 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -49.44 -52.35 29.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.904 ' CE2' HD21 ' A' ' 11' ' ' LEU . 6.3 t80 -44.73 -56.35 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.66 ' HB2' HG11 ' A' ' 53' ' ' VAL . 47.9 t0 -60.03 -22.91 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -71.0 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.612 ' HB3' HD11 ' A' ' 11' ' ' LEU . 11.4 tp10 -56.0 -47.08 78.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.766 ' HA ' HD21 ' A' ' 38' ' ' LEU . 38.4 t -58.53 -48.16 81.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 3.5 mmtp -40.82 -37.47 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.55 -54.67 3.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.615 1.197 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.766 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -45.69 -47.03 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.687 ' CE2' HD11 ' A' ' 4' ' ' LEU . 3.9 m-30 -117.73 42.78 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.445 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.06 -23.18 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' ILE . 38.3 p -90.81 -44.76 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.658 HG23 ' HD2' ' A' ' 43' ' ' PRO . 27.5 mm -38.91 141.9 0.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.658 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.09 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -107.87 33.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.619 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -91.05 -53.34 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 p -71.8 -32.34 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 4.6 mmm180 -68.99 -58.24 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.238 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -31.24 71.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.589 ' O ' HG13 ' A' ' 53' ' ' VAL . 3.2 m -65.04 -51.99 58.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.41 -14.43 40.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -104.48 1.32 29.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.575 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.913 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 67.5 t80 -103.57 -41.15 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.759 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.5 m -56.46 -17.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -137.16 69.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t 179.53 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.948 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 60' ' ' ILE . 40.3 mttt -131.84 10.27 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.1 t -96.81 -44.45 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -52.62 -44.76 95.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.696 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -74.94 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.703 HG21 ' CG2' ' A' ' 12' ' ' VAL . 18.7 mt -44.89 -54.86 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.083 HG23 ' CE2' ' A' ' 16' ' ' TYR . 48.0 mt -59.18 -25.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.696 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.989 ' HG2' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -87.35 -43.57 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.945 HD11 HG12 ' A' ' 13' ' ' VAL . 17.1 mt -65.89 -41.44 91.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.35 -32.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.31 -48.79 49.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 -24.29 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.549 HG22 ' HG3' ' A' ' 63' ' ' GLU . 29.1 m -54.12 149.9 8.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 1.017 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -86.49 166.98 24.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.729 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -75.05 -1.06 10.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.57 4.84 12.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.519 ' HB3' HG21 ' A' ' 68' ' ' THR . 0.6 OUTLIER -114.85 -38.09 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.017 HG21 ' O ' ' A' ' 69' ' ' ALA . 21.3 t -40.84 -56.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.482 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -78.22 70.33 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.693 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -176.58 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.693 ' N ' HG23 ' A' ' 75' ' ' THR . 11.2 ptpt -77.14 -40.69 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.989 HD23 ' HG2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -56.0 -16.61 5.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 44.7 t30 77.76 56.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' N ' ' HD2' ' A' ' 81' ' ' PRO . 4.3 mm-40 -105.73 -72.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.607 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 3.0 m -55.6 -47.46 98.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.389 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.587 ' HG3' ' HG ' ' A' ' 5' ' ' SER . 5.1 ttp85 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.619 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 3.3 p -179.81 46.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 169.27 -74.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 3' ' ' ALA . 2.3 mm? -39.32 -62.51 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.587 ' HG ' ' HG3' ' A' ' 1' ' ' ARG . 5.0 m -40.24 -57.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 9' ' ' CYS . 12.6 t -52.97 -68.29 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.166 . . . . 0.0 108.278 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' GLU . 1.1 mp0 -40.31 -56.59 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.785 ' HE3' ' SG ' ' A' ' 49' ' ' CYS . 50.8 mtt -45.56 -29.17 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.624 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -66.32 -44.6 82.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.218 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 mt-10 -66.59 -8.7 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.985 HD21 ' CE2' ' A' ' 31' ' ' PHE . 63.3 tp -91.34 -51.79 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.592 HG11 HG21 ' A' ' 57' ' ' VAL . 11.4 m -62.94 -47.56 92.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.895 HG12 HD11 ' A' ' 64' ' ' LEU . 18.9 m -59.54 -57.49 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.623 ' N ' HG21 ' A' ' 13' ' ' VAL . 7.1 tttp -43.48 -35.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' SER . 30.5 mmtt -78.06 -40.53 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.136 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.83 -71.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 111.015 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.647 ' HG2' HD13 ' A' ' 64' ' ' LEU . 6.7 mm-40 -40.43 -37.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.79 46.87 1.07 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.661 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -84.43 -51.02 7.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.971 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.2 -8.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -114.99 -14.5 11.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 48.72 67.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -150.83 116.0 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.9 -8.83 24.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.429 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 12.3 t-20 -81.39 -50.06 9.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -76.61 -9.55 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.682 HG21 ' HB2' ' A' ' 16' ' ' TYR . 57.4 mt -89.84 -68.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -45.66 -43.48 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.2 mtpp -64.34 -53.7 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.572 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.6 m-20 -46.19 -55.22 7.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.985 ' CE2' HD21 ' A' ' 11' ' ' LEU . 3.1 t80 -41.15 -52.07 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.94 -38.05 78.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.98 -50.61 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.869 ' HB3' HD11 ' A' ' 11' ' ' LEU . 8.8 tp10 -71.07 -63.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -39.51 -33.84 0.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' HIS . 10.6 mmtm -59.69 -77.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -27.33 61.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.619 HD23 ' CD1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.46 -56.25 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.668 ' CG ' HD13 ' A' ' 42' ' ' ILE . 14.7 m-30 -119.02 50.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.718 ' CD2' HG21 ' A' ' 41' ' ' THR . 4.2 p80 -65.8 -43.69 87.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.718 HG21 ' CD2' ' A' ' 40' ' ' HIS . 23.7 p -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.668 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.3 mt -50.66 141.07 18.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.99 -86.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.803 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -69.87 -0.86 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.58 -62.41 6.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -60.4 -31.76 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.11 -52.29 65.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.1 OUTLIER -69.25 -36.71 77.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.785 ' SG ' ' HE3' ' A' ' 8' ' ' MET . 89.5 m -58.38 -46.63 85.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.23 -17.49 62.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.25 8.11 43.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.642 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 38.7 t80 -108.14 -34.86 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.587 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 10.7 m -65.76 -10.95 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -141.19 63.13 1.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -176.0 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.505 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.3 mmtp -133.91 17.49 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.592 HG21 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.65 -24.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.663 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.39 -42.92 2.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -74.98 -51.74 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 9' ' ' CYS . 16.9 mt -49.57 -43.67 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.136 HG23 ' CE2' ' A' ' 16' ' ' TYR . 78.4 mt -72.69 -20.55 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.703 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.929 ' HE2' ' HG1' ' A' ' 68' ' ' THR . 2.6 mm-40 -84.29 -48.06 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.895 HD11 HG12 ' A' ' 13' ' ' VAL . 7.8 mt -66.05 -35.53 80.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.471 ' HB3' ' HH ' ' A' ' 16' ' ' TYR . 1.4 pp20? -75.34 -28.6 59.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.14 -45.06 12.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.19 -20.89 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.929 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 1.9 m -59.71 146.77 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.921 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -78.64 167.94 31.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.76 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.6 Cg_endo -74.94 -6.66 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.74 -2.14 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.572 ' CB ' HG21 ' A' ' 68' ' ' THR . 0.8 OUTLIER -103.4 -32.36 9.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.921 HG21 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -57.18 -47.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.438 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -74.88 59.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 108.265 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 173.23 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HD2' ' HE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -70.98 -45.68 63.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.564 ' N ' HD21 ' A' ' 77' ' ' LEU . 4.2 mt -89.36 22.39 2.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 m120 54.65 19.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HE2' ' C ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -56.56 -72.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 74' ' ' CYS . 1.5 m -42.19 163.46 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.351 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' HB3' ' HA ' ' A' ' 2' ' ' SER . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.462 1.77 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 2' ' ' SER . 7.1 ptp85 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 1' ' ' ARG . 37.9 m -68.84 104.33 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.6 -140.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 1.019 HD21 ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -63.37 -13.13 36.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 1.019 ' N ' HD21 ' A' ' 4' ' ' LEU . 7.3 t -66.73 -49.02 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -56.94 -58.91 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 108.284 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -43.6 -51.98 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.508 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 16.5 mtt -47.61 -33.9 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.774 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -63.25 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 108.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' HG23 ' A' ' 13' ' ' VAL . 7.1 tt0 -74.58 -5.93 45.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.995 HD21 ' CD2' ' A' ' 31' ' ' PHE . 51.0 tp -92.9 -39.36 11.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.627 HG11 ' CG2' ' A' ' 57' ' ' VAL . 10.1 m -73.64 -47.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -64.08 -59.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.634 ' N ' HG21 ' A' ' 13' ' ' VAL . 2.7 ttpp -43.89 -36.17 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 19' ' ' SER . 69.1 mmtt -77.33 -38.33 50.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.174 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.1 t80 -76.84 -72.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.5 pp20? -42.0 -30.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.64 40.37 2.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.666 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.5 p -78.56 -54.81 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.51 -6.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.609 ' HD2' ' HB ' ' A' ' 26' ' ' VAL . 1.1 p-10 -113.09 -18.57 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.9 mmmt 53.8 63.58 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.58 ' HB3' ' HD2' ' A' ' 21' ' ' ASP . 7.6 t0 -147.68 107.08 3.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -13.83 26.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 t30 -79.69 -38.24 33.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.23 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.609 ' HB ' ' HD2' ' A' ' 21' ' ' ASP . 4.1 t -87.03 -7.81 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.88 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.9 mt -91.89 -59.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.717 ' CB ' HG11 ' A' ' 57' ' ' VAL . 3.9 ptpp? -53.77 -44.52 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.1 mtpp -67.08 -47.64 70.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.702 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.7 m-20 -48.95 -52.57 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.995 ' CD2' HD21 ' A' ' 11' ' ' LEU . 4.0 t80 -43.69 -56.4 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.424 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 44.4 t0 -49.19 -37.81 23.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -50.48 -56.98 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.7 tp10 -71.17 -56.23 6.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -39.36 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 108.358 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -68.86 -77.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.6 15.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.729 HD21 ' CE2' ' A' ' 39' ' ' PHE . 14.4 tp -77.84 -75.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.729 ' CE2' HD21 ' A' ' 38' ' ' LEU . 7.5 m-85 -93.09 31.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.566 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -49.27 -58.92 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.666 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.633 ' O ' HG21 ' A' ' 41' ' ' THR . 9.2 t -87.72 71.53 9.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.568 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mt -149.3 141.59 15.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.221 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 112.56 3.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.561 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.66 0.59 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' CA ' HG22 ' A' ' 42' ' ' ILE . . . -57.3 -63.11 5.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -61.14 -26.79 67.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.49 -44.37 78.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -73.24 -34.33 65.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' O ' HG13 ' A' ' 53' ' ' VAL . 73.6 m -51.07 -46.03 61.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.215 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -76.49 -25.11 53.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -89.67 14.08 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.774 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 20.3 t80 -117.41 -42.74 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.787 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.8 m -78.81 53.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 51.9 t30 175.43 40.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.1 t 177.62 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -111.95 -1.19 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.717 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -99.11 -23.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -77.24 -44.45 2.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.625 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.99 -51.19 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 13' ' ' VAL . 15.7 mt -48.26 -47.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.174 HG23 ' CE2' ' A' ' 16' ' ' TYR . 77.1 mt -67.84 -23.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.716 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.54 -17.26 62.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.568 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.99 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.07 -51.09 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.727 HD11 HG12 ' A' ' 13' ' ' VAL . 2.5 mt -65.29 -40.0 93.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.541 ' HB3' ' HH ' ' A' ' 16' ' ' TYR . 1.3 pp20? -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.78 -55.4 9.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.09 43.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.571 ' O ' HD21 ' A' ' 64' ' ' LEU . 1.4 m -123.17 140.34 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.901 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -67.88 163.41 50.19 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.687 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -74.99 -11.64 21.49 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -2.2 29.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.555 ' HB3' HG21 ' A' ' 68' ' ' THR . 7.0 t0 -102.98 -37.13 7.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.901 HG21 ' O ' ' A' ' 69' ' ' ALA . 4.0 t -51.99 -55.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -78.14 66.23 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.574 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -164.83 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.574 ' N ' HG23 ' A' ' 75' ' ' THR . 1.7 mttm -82.82 -17.61 43.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.99 HD22 ' CD ' ' A' ' 63' ' ' GLU . 4.0 mm? -83.07 -5.84 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.91 28.87 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 11.7 pt-20 -122.17 53.68 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER 166.66 156.09 0.11 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.255 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.6 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.735 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.0 m 93.82 -154.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 159.42 -65.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.687 HD12 ' HG3' ' A' ' 8' ' ' MET . 0.1 OUTLIER -65.16 -23.21 67.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.225 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -34.67 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.69 -67.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -57.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.774 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 21.9 mtt -51.24 -38.96 55.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.98 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -66.35 -37.13 84.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 3.8 mt-10 -74.36 -4.75 38.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.851 HD21 ' CD2' ' A' ' 31' ' ' PHE . 51.2 tp -93.06 -48.33 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.907 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.5 m -64.09 -44.82 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.139 HG12 HD11 ' A' ' 64' ' ' LEU . 34.4 m -64.11 -58.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.609 ' N ' HG21 ' A' ' 13' ' ' VAL . 5.5 ttpt -43.98 -32.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' SER . 56.1 mmtt -81.27 -39.92 24.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.959 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -72.24 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' VAL . 30.7 mm-40 -46.28 -38.3 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.49 50.17 0.8 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.729 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -104.14 -43.46 5.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 0.802 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 66.03 10.35 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -119.6 -10.61 9.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mptt 42.51 42.47 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -121.78 115.69 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.388 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.36 -3.24 25.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 m120 -88.93 -46.35 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -83.29 -7.04 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.729 ' CG1' ' HG ' ' A' ' 19' ' ' SER . 60.3 mt -90.56 -53.25 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.5 ptpp? -64.2 -33.0 74.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.0 mtpp -69.25 -51.68 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.764 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -49.01 -49.11 42.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.851 ' CD2' HD21 ' A' ' 11' ' ' LEU . 2.0 t80 -47.46 -55.05 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 8.5 t0 -55.84 -21.16 18.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.35 -56.55 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.7 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.6 tp10 -83.53 16.45 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 6.5 t -117.4 -42.35 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' HA ' HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -63.29 -57.06 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -68.72 -33.43 73.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.8 -56.51 20.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CE2' HD22 ' A' ' 4' ' ' LEU . 4.4 m-30 -122.92 57.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 2.7 t60 -68.08 -59.73 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' ILE . 5.2 t -52.62 -41.86 64.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.646 HG23 ' HD2' ' A' ' 43' ' ' PRO . 2.4 mm -38.29 141.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.92 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.455 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 11.6 p90 -107.51 30.92 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.634 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -87.56 -75.63 1.28 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 36' ' ' LYS . 47.8 p -57.42 -34.71 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -60.33 -49.24 78.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.774 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -69.83 -37.35 76.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 76.5 m -49.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.24 -27.66 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -87.77 9.52 21.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.98 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 23.8 t80 -114.57 -48.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.595 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 12.1 m -55.94 -22.41 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -134.36 58.29 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -172.51 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.3 mptt -124.63 15.48 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.59 -46.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -51.45 -44.88 90.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.5 Cg_endo -74.89 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.907 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.5 mt -45.64 -58.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.959 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.28 -22.84 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.22 -52.84 52.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.934 ' OE1' HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.19 -49.91 68.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.139 HD11 HG12 ' A' ' 13' ' ' VAL . 39.1 mt -59.82 -40.57 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HG3' ' HH ' ' A' ' 16' ' ' TYR . 4.9 mt-10 -56.7 -56.48 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.91 -45.55 86.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.84 44.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.7 ' O ' HD21 ' A' ' 64' ' ' LEU . 3.0 m -111.41 138.12 48.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.906 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -57.02 161.95 4.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.51 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.1 Cg_endo -74.97 -12.03 21.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -99.92 -20.82 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' HB3' HG21 ' A' ' 68' ' ' THR . 1.4 m-20 -79.37 -28.89 41.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.906 HG21 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -66.97 -48.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 62.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -179.58 -51.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.622 ' C ' HD21 ' A' ' 77' ' ' LEU . 6.3 mttm -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.934 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.18 34.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.475 ' ND2' HH21 ' A' ' 1' ' ' ARG . 9.8 m-20 41.49 33.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.485 ' HE2' HG13 ' A' ' 60' ' ' ILE . 1.1 mt-10 -80.24 6.11 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.445 ' SG ' ' HD2' ' A' ' 81' ' ' PRO . 11.6 t -163.76 137.31 4.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 108.363 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.459 ' HB3' ' O ' ' A' ' 1' ' ' ARG . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.712 ' HD3' ' HG ' ' A' ' 5' ' ' SER . 3.1 tmt_? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.598 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 75.6 p -167.19 43.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.951 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 169.95 -64.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.408 ' CD1' HG21 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -59.93 -21.62 61.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.712 ' HG ' ' HD3' ' A' ' 1' ' ' ARG . 0.3 OUTLIER -70.23 -36.23 74.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.532 ' CB ' ' HA ' ' A' ' 80' ' ' CYS . 43.4 t -59.64 -58.13 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.27 -50.56 15.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.572 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 64.3 mtt -47.19 -38.72 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.981 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -59.28 -35.65 74.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 108.257 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 mt-10 -78.52 -6.96 56.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.925 HD21 ' CD2' ' A' ' 31' ' ' PHE . 67.8 tp -89.4 -48.59 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.635 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.8 m -63.63 -51.65 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.031 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -58.0 -58.29 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.623 ' N ' HG21 ' A' ' 13' ' ' VAL . 6.4 ttpt -44.33 -32.45 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.612 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 13.4 mmtt -78.66 -41.72 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.934 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.59 -66.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.996 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.5 mm-40 -40.48 -41.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.27 42.8 1.8 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.701 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.1 p -72.69 -51.11 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 85.27 -13.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -115.65 -28.83 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 66.07 62.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.643 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -144.06 115.59 8.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -10.76 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 2.2 m-20 -80.12 -42.29 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.643 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -83.43 -7.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.0 mt -91.76 -65.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.603 ' HB3' HG11 ' A' ' 57' ' ' VAL . 6.1 ptmt -49.89 -40.2 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 13.2 mtpp -69.43 -56.39 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.765 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.8 m-20 -42.43 -53.59 4.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.925 ' CD2' HD21 ' A' ' 11' ' ' LEU . 12.0 t80 -43.03 -63.41 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 12.0 t70 -44.73 -34.88 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -60.05 -57.46 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.886 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.6 tp10 -88.07 27.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.639 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.4 t -120.85 -56.42 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 5.5 mttt -65.74 -37.22 85.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -76.01 -42.55 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.734 HD22 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -70.29 -58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.734 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 54.6 m-85 -87.24 24.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -58.11 -18.36 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.691 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' ILE . 22.7 p -89.27 -56.42 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' THR . 3.9 mm -28.94 139.88 0.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.548 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.07 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.2 m-85 75.67 -2.52 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.47 -42.34 9.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.46 ' HB ' ' CD ' ' A' ' 36' ' ' LYS . 70.6 p -51.73 -47.18 64.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -52.57 -38.61 60.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -72.59 -35.52 67.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.66 -58.06 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.4 -28.22 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.18 -0.68 41.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.981 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 7.9 t80 -101.99 -29.62 11.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.724 ' O ' HG21 ' A' ' 53' ' ' VAL . 1.2 m -90.31 34.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -179.22 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' ' 59' ' ' PRO . 0.5 OUTLIER 169.55 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.9 mmtp -117.03 -5.47 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.603 HG11 ' HB3' ' A' ' 28' ' ' LYS . 1.7 t -97.39 -47.76 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -51.87 -43.73 89.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.0 Cg_endo -75.05 -56.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.635 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.3 mt -45.4 -58.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.934 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.7 mt -59.61 -22.33 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.13 -30.53 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.764 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -83.47 -57.86 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.031 ' CD1' HG12 ' A' ' 13' ' ' VAL . 4.7 mt -51.3 -46.47 62.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -61.56 -37.97 85.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.31 -27.15 72.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.3 -2.06 6.64 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.463 HG21 ' HB2' ' A' ' 72' ' ' ASP . 3.0 m -70.51 158.17 36.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.897 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -86.08 163.87 41.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.782 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.97 -0.91 10.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -110.85 -8.21 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.463 ' HB2' HG21 ' A' ' 68' ' ' THR . 64.3 m-20 -99.52 -33.98 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.897 HG21 ' O ' ' A' ' 69' ' ' ALA . 17.3 t -59.4 -52.79 56.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.0 70.52 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 175.03 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -75.32 -46.45 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.671 ' HG ' ' HE2' ' A' ' 63' ' ' GLU . 10.6 mt -87.18 17.45 4.29 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 49.55 39.68 17.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.737 ' OE2' HG12 ' A' ' 73' ' ' VAL . 12.3 pt-20 -113.03 65.95 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.532 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER 179.45 63.05 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 80' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t 65.33 102.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.955 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.83 -153.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -67.33 -9.73 44.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -44.93 -33.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 9' ' ' CYS . 4.6 t -57.38 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.7 mt-30 -39.63 -53.05 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.614 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 30.8 mtt -45.29 -36.31 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.862 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -62.75 -41.34 99.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 108.237 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.8 mt-10 -69.64 -6.32 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 34' ' ' GLU . 24.0 tp -94.06 -39.79 10.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.526 HG11 ' CG2' ' A' ' 57' ' ' VAL . 7.0 m -74.49 -43.17 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.965 HG12 HD11 ' A' ' 64' ' ' LEU . 34.2 m -65.58 -60.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.649 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.45 -32.13 2.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 33.7 mmtt -80.7 -34.86 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.121 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.17 -69.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 13' ' ' VAL . 1.2 pp20? -60.5 -16.9 41.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.27 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 30.51 5.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.687 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -82.65 -54.39 5.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.46 -6.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.575 ' HD2' ' HB ' ' A' ' 26' ' ' VAL . 7.0 p-10 -109.82 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 5.1 mmtt 58.74 65.28 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.593 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -149.17 109.39 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -60.75 -12.62 11.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 3.5 t-20 -78.14 -55.75 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -72.42 -4.97 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.605 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 65.8 mt -88.67 -67.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.672 ' HB3' HG11 ' A' ' 57' ' ' VAL . 8.5 ptmt -51.46 -37.64 49.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 11.6 mtpp -66.93 -48.2 69.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.754 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -49.64 -53.35 24.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.7 t80 -43.55 -58.05 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.29 -28.8 3.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.32 -61.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.616 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.6 tp10 -83.45 25.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 13.6 t -123.64 -47.66 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 108.343 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -63.87 -38.29 90.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.71 -36.45 21.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.513 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.3 tp -65.91 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD2' ' SG ' ' A' ' 35' ' ' CYS . 14.5 m-85 -88.99 27.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -55.33 -51.38 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.616 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 43.1 p -55.17 -46.76 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.69 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.7 mt -43.78 142.94 1.8 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.69 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -106.69 32.83 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.58 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -85.45 -55.1 2.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 38.7 p -59.72 -41.96 92.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.761 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -60.16 -42.67 95.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 3.0 mm-40 -73.19 -28.73 62.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -55.05 -66.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.18 -26.48 60.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.2 0.29 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.862 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 37.6 t80 -112.42 -49.33 2.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.703 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.8 m -52.93 -21.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.54 70.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.6 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.526 1.142 . . . . 0.0 109.975 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.583 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 7.7 mmtt -127.91 3.73 5.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.672 HG11 ' HB3' ' A' ' 28' ' ' LYS . 2.1 t -97.11 -43.67 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -54.6 -44.19 98.86 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.676 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.5 Cg_endo -75.03 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.713 HG12 ' HE2' ' A' ' 79' ' ' GLU . 21.3 mt -45.79 -54.08 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.121 HG23 ' CE2' ' A' ' 16' ' ' TYR . 13.8 mt -61.6 -23.82 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.218 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.676 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.24 -46.84 82.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.786 ' HG2' HD22 ' A' ' 77' ' ' LEU . 1.2 tp10 -60.48 -52.36 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.301 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.965 HD11 HG12 ' A' ' 13' ' ' VAL . 6.0 mt -57.56 -35.69 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.678 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 4.8 mt-10 -64.76 -25.02 67.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.06 -24.32 45.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.4 2.42 7.57 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.668 ' O ' HD21 ' A' ' 64' ' ' LEU . 1.8 m -70.76 141.3 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.905 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -68.52 163.37 54.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.594 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 -21.02 16.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -96.48 3.19 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.6 ' HB3' HG21 ' A' ' 68' ' ' THR . 7.5 t0 -105.9 -32.0 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.905 HG21 ' O ' ' A' ' 69' ' ' ALA . 4.1 t -63.38 -42.74 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 80' ' ' CYS . 0.2 OUTLIER -80.81 66.75 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER 174.38 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' N ' HG23 ' A' ' 75' ' ' THR . 0.9 OUTLIER -59.56 -36.29 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.786 HD22 ' HG2' ' A' ' 63' ' ' GLU . 4.0 mm? -70.52 -6.33 35.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.36 29.49 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.384 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.713 ' HE2' HG12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -93.95 -86.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 7.9 t -63.1 139.43 97.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.405 1.739 . . . . 0.0 110.964 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.716 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.6 OUTLIER -117.91 25.7 10.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 162.3 -50.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.72 HD12 ' CE1' ' A' ' 39' ' ' PHE . 3.5 mm? -43.79 -56.59 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.49 ' HB3' ' CD ' ' A' ' 81' ' ' PRO . 2.7 t -37.95 -37.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.967 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -54.68 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 10' ' ' GLU . 9.4 tp60 -45.74 -51.18 12.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.642 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 31.9 mtt -46.08 -46.17 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.539 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -57.82 -32.15 67.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 108.243 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.521 ' HA ' HG23 ' A' ' 13' ' ' VAL . 18.6 mt-10 -82.43 -3.23 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.917 HD21 ' CE2' ' A' ' 31' ' ' PHE . 61.5 tp -93.46 -44.27 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.831 HG22 HG21 ' A' ' 60' ' ' ILE . 24.5 m -65.94 -37.55 80.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.22 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.026 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -67.68 -58.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.65 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -46.92 -31.81 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.8 mmtt -81.56 -40.41 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.906 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.01 -68.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' VAL . 50.1 mm-40 -43.73 -42.9 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.26 46.86 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.694 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -81.14 -49.66 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 58.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER 162.83 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.71 62.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.361 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.586 ' HB3' HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -135.07 102.67 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -52.03 -18.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 78.0 m-20 -72.58 -54.67 8.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -72.44 -6.96 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.573 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 93.0 mt -90.75 -73.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HB3' HG11 ' A' ' 57' ' ' VAL . 9.0 ptmt -42.18 -39.64 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 10.2 mtpp -69.99 -45.73 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.185 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.705 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.3 m-20 -52.47 -49.68 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.917 ' CE2' HD21 ' A' ' 11' ' ' LEU . 1.9 t80 -48.45 -50.15 32.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.61 -25.17 37.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.47 -74.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.844 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.3 tp10 -50.11 -28.08 6.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 39' ' ' PHE . 4.1 t -73.97 -37.66 64.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.26 -0.78 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -115.77 -49.81 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.38 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -80.14 -48.64 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CE1' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.53 7.09 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -52.9 63.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.659 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -54.94 -18.98 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 11.6 mm -79.24 140.96 57.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.03 -66.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.481 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -85.81 5.88 30.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' CA ' ' CD2' ' A' ' 39' ' ' PHE . . . -59.54 -76.41 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.8 p -38.49 -34.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.751 . . . . 0.0 110.415 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -65.61 -50.45 65.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.514 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.1 OUTLIER -68.79 -26.09 65.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' TYR . 94.1 m -53.5 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.276 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.79 -24.63 36.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -83.05 0.9 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.616 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 18.2 t80 -113.21 -48.93 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.761 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.6 m -54.52 -18.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 55' ' ' SER . 6.9 m-20 -136.77 72.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 165.81 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 52' ' ' TYR . 13.2 mttp -132.41 9.5 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -97.81 -49.56 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -49.69 -43.56 73.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.703 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -56.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.831 HG21 HG22 ' A' ' 12' ' ' VAL . 10.0 mt -45.87 -59.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.906 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -58.67 -20.52 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.384 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.703 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.56 -29.06 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.862 ' HE2' ' HG1' ' A' ' 68' ' ' THR . 0.2 OUTLIER -82.65 -58.97 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.026 ' CD1' HG12 ' A' ' 13' ' ' VAL . 6.2 mt -50.98 -44.68 60.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.58 -31.91 73.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.53 64.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.34 -14.79 1.86 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.862 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 1.9 m -61.67 154.48 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.942 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -80.12 169.38 20.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.99 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.98 -15.26 20.88 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 14.45 23.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 81.3 m-20 -124.77 -0.38 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.942 HG21 ' O ' ' A' ' 69' ' ' ALA . 41.1 t -89.31 -38.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 79' ' ' GLU . 1.7 m -71.06 -6.54 39.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -114.65 -19.67 11.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.476 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.742 ' HG3' HD21 ' A' ' 77' ' ' LEU . 6.1 tptt -67.51 -70.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.742 HD21 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -86.33 32.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 37.62 31.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 8.3 mm-40 -51.37 -68.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.22 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.2 t -51.14 106.93 0.71 Allowed Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 5' ' ' SER . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.421 1.748 . . . . 0.0 111.029 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 80' ' ' CYS . 9.1 t -74.63 85.03 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.44 -64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.556 HD12 ' CE1' ' A' ' 39' ' ' PHE . 1.9 mm? -100.02 -60.44 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -35.02 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.563 ' CB ' ' HA ' ' A' ' 80' ' ' CYS . 37.2 t -68.95 -76.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -39.49 -51.9 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 1.009 ' HE3' ' SG ' ' A' ' 49' ' ' CYS . 54.2 mtt -47.14 -40.57 15.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 1.168 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.676 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -58.99 -33.42 70.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.476 ' HA ' HG23 ' A' ' 13' ' ' VAL . 31.5 tt0 -79.94 -6.07 56.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.783 HD22 ' O ' ' A' ' 31' ' ' PHE . 53.2 tp -91.19 -44.27 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.719 HG11 HG21 ' A' ' 57' ' ' VAL . 16.5 m -68.01 -50.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.009 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -60.9 -59.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.629 ' N ' HG21 ' A' ' 13' ' ' VAL . 11.9 ttpt -44.67 -34.31 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' SER . 32.3 mmtt -77.13 -41.05 43.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.963 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.56 -71.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.7 mm-40 -36.91 -41.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.13 52.94 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.602 1.189 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.664 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -92.27 -45.9 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.23 -7.94 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -114.34 -22.15 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 2.4 mppt? 52.26 66.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.566 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -148.03 116.59 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -8.6 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.5 m-20 -82.87 -49.43 9.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -79.37 -10.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.684 HG21 ' HB2' ' A' ' 16' ' ' TYR . 62.9 mt -89.8 -74.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.487 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.0 ptmt -39.32 -44.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 14.0 mtpp -65.1 -52.47 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.8 m-20 -45.25 -55.28 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.783 ' O ' HD22 ' A' ' 11' ' ' LEU . 3.6 t80 -41.75 -52.1 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -51.8 -46.82 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.21 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.72 ' CB ' HD11 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -45.45 -44.59 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.618 ' SG ' ' CD2' ' A' ' 11' ' ' LEU . 24.9 m -55.81 -42.76 76.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.8 mtpt -74.71 -0.18 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.89 -47.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.505 HD22 ' CD2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -100.17 -48.55 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE1' HD12 ' A' ' 4' ' ' LEU . 14.8 m-85 -85.94 14.34 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -64.25 -58.95 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.598 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.582 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 81.3 p -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -72.36 138.84 81.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.12 -74.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.55 -19.94 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.39 -47.2 63.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.411 1.069 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.1 p -73.09 -39.56 65.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -63.75 -45.15 91.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.3 OUTLIER -71.78 -39.53 69.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.009 ' SG ' ' HE3' ' A' ' 8' ' ' MET . 1.3 m -59.33 -44.86 92.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 108.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.46 -22.91 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.72 6.45 48.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 21.4 t80 -104.2 -36.66 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.813 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.2 m -82.36 51.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 55' ' ' SER . 10.7 t30 179.56 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.1 m 163.62 -28.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.532 ' O ' HD13 ' A' ' 60' ' ' ILE . 14.1 mmtt -118.99 -1.2 11.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.719 HG21 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.5 -43.48 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -57.75 -43.64 98.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -75.0 -50.89 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.594 HG21 ' CG2' ' A' ' 12' ' ' VAL . 13.2 mt -49.16 -45.38 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.963 HG23 ' CE2' ' A' ' 16' ' ' TYR . 62.9 mt -73.08 -18.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.714 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -70.49 -27.87 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.869 ' HE2' ' HG1' ' A' ' 68' ' ' THR . 0.0 OUTLIER -81.54 -52.25 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.009 HD11 HG12 ' A' ' 13' ' ' VAL . 4.8 mt -60.09 -40.93 91.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 1.8 pp20? -70.68 -25.37 62.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.22 -38.05 30.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.4 -16.87 1.67 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.869 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 2.7 m -63.98 155.59 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.927 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -85.52 168.58 19.32 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.881 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -74.91 -17.99 19.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 10.26 41.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' CB ' HG21 ' A' ' 68' ' ' THR . 38.9 m-20 -115.71 -38.04 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.927 HG21 ' O ' ' A' ' 69' ' ' ALA . 3.1 t -56.17 -47.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.88 57.5 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -156.74 -58.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 0.0 110.451 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.534 ' N ' HG23 ' A' ' 75' ' ' THR . 4.0 mttt -79.56 -38.4 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -67.17 -7.12 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.89 35.17 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 12.6 pt-20 -120.51 69.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 171.33 -55.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 108.3 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -137.43 122.51 19.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.5 -153.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.983 HD21 ' N ' ' A' ' 5' ' ' SER . 0.3 OUTLIER -56.55 -19.34 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.983 ' N ' HD21 ' A' ' 4' ' ' LEU . 8.4 t -46.08 -41.76 12.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.061 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.75 -63.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.39 -47.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.633 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 39.8 mtt -51.4 -42.25 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.959 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -59.65 -31.44 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.521 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -80.11 -8.48 59.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.904 HD21 ' CD2' ' A' ' 31' ' ' PHE . 56.3 tp -90.64 -42.54 10.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.76 HG11 HG21 ' A' ' 57' ' ' VAL . 11.0 m -68.48 -48.37 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.781 HG12 HD11 ' A' ' 64' ' ' LEU . 29.9 m -60.82 -58.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.612 ' N ' HG21 ' A' ' 13' ' ' VAL . 8.3 tttp -43.73 -32.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -81.51 -40.54 23.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.031 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.47 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.823 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.7 mm-40 -46.73 -38.47 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.54 37.17 3.95 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.643 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.5 t -87.73 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.18 -1.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.545 ' HD2' ' HB ' ' A' ' 26' ' ' VAL . 14.2 p-10 -111.73 -15.9 13.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 3.3 mmmt 51.23 56.65 7.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.557 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -140.18 113.12 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -5.19 24.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' HA ' ' HZ3' ' A' ' 28' ' ' LYS . 4.6 t-20 -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.09 -11.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.595 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.7 mt -85.8 -74.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 2.0 ptpp? -41.99 -36.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 15.7 mtpp -67.54 -47.57 69.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.761 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.71 -47.52 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.904 ' CD2' HD21 ' A' ' 11' ' ' LEU . 4.5 t80 -45.79 -54.8 7.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -57.92 -23.88 55.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.4 -73.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.225 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.802 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.5 tp10 -52.93 -29.61 29.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -67.12 -54.79 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 4.4 mmmm -50.42 -17.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 19.7 mtpp -102.11 -68.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.482 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -54.06 -52.17 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.49 ' O ' HG21 ' A' ' 46' ' ' THR . 35.1 m-85 -88.62 36.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.693 ' C ' HG23 ' A' ' 41' ' ' THR . 2.8 t-160 -91.59 70.74 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.693 HG23 ' C ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER 164.53 -40.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.696 HG23 ' HD2' ' A' ' 43' ' ' PRO . 33.5 mm -40.12 142.96 0.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.696 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.93 26.23 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.2 OUTLIER 162.29 39.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.1 -62.6 1.0 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.49 HG21 ' O ' ' A' ' 39' ' ' PHE . 31.2 p -61.8 -30.17 70.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -72.14 -67.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.633 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -52.13 -26.97 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 2.0 m -61.85 -55.08 33.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -57.5 -17.46 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.534 ' HB3' ' HE2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -105.03 5.23 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.959 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 27.2 t80 -104.14 -51.94 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 31' ' ' PHE . 10.4 m -49.48 -35.72 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.407 ' C ' ' OG ' ' A' ' 55' ' ' SER . 10.7 m120 -105.29 31.67 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.677 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -174.78 98.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.538 1.149 . . . . 0.0 110.024 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.677 ' CB ' ' O ' ' A' ' 55' ' ' SER . 13.8 mmtt 102.88 0.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.76 HG21 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -98.31 -22.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.661 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 t0 -78.31 -42.17 2.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.1 Cg_endo -75.07 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.587 1.835 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.614 HG23 HG11 ' A' ' 73' ' ' VAL . 53.9 mt -46.45 -48.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.031 HG23 ' CE2' ' A' ' 16' ' ' TYR . 81.8 mt -66.21 -27.33 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.694 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.17 -14.41 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.599 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 1.057 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -82.94 -50.43 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.395 1.06 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.952 HD21 ' O ' ' A' ' 68' ' ' THR . 0.9 OUTLIER -70.87 -27.45 63.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.597 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 1.6 mt-10 -68.1 -38.27 82.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.82 -51.92 6.76 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.67 42.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.952 ' O ' HD21 ' A' ' 64' ' ' LEU . 25.1 m -120.27 119.1 32.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.595 0.82 . . . . 0.0 110.383 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.729 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -51.86 163.79 0.62 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.814 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.03 -19.11 18.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 10.6 37.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.75 -38.29 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.75 HG23 ' HB3' ' A' ' 63' ' ' GLU . 11.0 t -51.62 -53.37 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.498 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.7 m -75.66 73.51 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER 179.23 -63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 75' ' ' THR . 6.5 tttp -73.53 -28.0 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 1.057 HD22 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -72.93 -2.15 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.93 23.93 14.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.742 ' HE2' HG12 ' A' ' 73' ' ' VAL . 5.4 pt-20 -99.49 -6.51 27.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 74' ' ' CYS . 6.9 t -147.04 135.37 10.88 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 108.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 110.98 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.2 t -123.16 23.03 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.094 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . -179.33 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 8' ' ' MET . 1.6 mp -38.15 -48.53 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -48.66 -64.53 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 7' ' ' GLN . 13.2 m -61.04 -68.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 6' ' ' CYS . 3.3 mm-40 -33.04 -63.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.592 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 33.7 mtt -45.42 -47.05 13.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.916 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 2.5 t -60.6 -33.04 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.5 ' HA ' HG23 ' A' ' 13' ' ' VAL . 18.8 mt-10 -80.55 -4.95 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.853 HD22 ' O ' ' A' ' 31' ' ' PHE . 38.4 tp -92.66 -40.16 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.855 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.9 m -72.96 -49.64 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.03 HG12 HD11 ' A' ' 64' ' ' LEU . 34.8 m -61.48 -58.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.615 ' N ' HG21 ' A' ' 13' ' ' VAL . 2.1 ttpp -44.89 -33.89 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 48.6 mmtt -77.94 -40.11 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.993 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.68 -67.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 mm-40 -39.69 -40.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.13 48.91 0.9 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.683 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.4 p -80.46 -54.75 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.75 -7.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -116.93 -9.2 11.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt 43.25 70.52 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.64 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -154.19 109.15 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.471 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -61.48 -12.83 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.436 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 5.6 t-20 -78.94 -40.0 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.64 HG21 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -85.87 -4.62 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.761 HG21 ' HB2' ' A' ' 16' ' ' TYR . 71.4 mt -94.04 -50.63 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.769 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.2 ptmt -67.6 -30.76 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.4 mtpp -75.05 -49.4 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -52.75 -50.46 63.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.853 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -52.74 -38.0 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.828 ' HD2' ' HZ3' ' A' ' 36' ' ' LYS . 22.8 t70 -66.47 -30.23 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.73 -72.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.1 tp10 -48.18 -40.66 24.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.581 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 52.8 t -59.38 -55.71 31.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.828 ' HZ3' ' HD2' ' A' ' 32' ' ' ASP . 31.8 mttt -59.25 -5.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -100.76 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -61.43 -48.64 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 18.4 m-85 -85.64 34.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 36' ' ' LYS . 30.4 t60 -89.4 -36.96 15.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.629 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.3 p -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.375 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -62.68 140.1 97.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.599 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 6.2 m-85 -155.56 19.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.438 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -67.17 -58.78 7.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.416 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 73.7 p -55.07 -34.18 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -65.57 -49.18 69.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.683 ' HE2' ' HD1' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -70.75 -25.24 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.455 ' O ' HG13 ' A' ' 53' ' ' VAL . 88.7 m -53.55 -55.82 22.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.683 ' HD1' ' HE2' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -86.83 2.23 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.533 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.916 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 13.2 t80 -115.05 -42.71 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.788 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.2 m -81.45 48.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' SER . 64.6 t30 175.24 47.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.4 m 158.93 -23.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.067 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -119.34 -7.82 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.769 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -97.79 -48.61 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.638 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.48 -44.16 88.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.714 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.88 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.855 HG21 ' CG2' ' A' ' 12' ' ' VAL . 10.7 mt -43.57 -56.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.993 HG23 ' CE2' ' A' ' 16' ' ' TYR . 2.4 mt -58.8 -24.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.714 ' CG ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -62.99 -28.89 70.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.615 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.908 ' HE2' ' HG1' ' A' ' 68' ' ' THR . 0.3 OUTLIER -77.27 -50.85 11.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.03 HD11 HG12 ' A' ' 13' ' ' VAL . 22.4 mt -58.94 -37.48 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.61 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 3.7 mt-10 -69.65 -28.27 65.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.28 -40.61 19.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.16 -13.14 2.33 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.908 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 5.1 m -61.66 142.67 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.397 0.704 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.874 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -71.43 168.05 24.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.01 -21.72 15.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -96.66 10.24 39.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.509 ' HB3' HG21 ' A' ' 68' ' ' THR . 4.1 m-20 -114.4 -35.07 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.874 HG21 ' O ' ' A' ' 69' ' ' ALA . 3.2 t -58.55 -41.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 1.8 m -74.61 62.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.48 -59.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -67.98 -23.53 65.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.678 HD11 ' CE1' ' A' ' 62' ' ' HIS . 4.4 mm? -86.16 12.28 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m120 49.71 29.56 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.757 ' HE2' HG12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -82.72 -64.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 74' ' ' CYS . 10.2 m -47.79 160.87 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.419 ' CD ' ' SG ' ' A' ' 6' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.81 81.24 1.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.79 -141.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.63 -19.13 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -48.83 -50.31 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 1.3 t -48.31 -51.98 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tp60 -50.59 -52.94 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.571 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 55.5 mtt -49.26 -39.18 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.013 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -60.09 -31.9 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.574 ' HA ' HG23 ' A' ' 13' ' ' VAL . 3.2 mt-10 -80.24 -6.71 58.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 1.012 HD21 ' CD2' ' A' ' 31' ' ' PHE . 34.9 tp -93.25 -37.86 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.732 ' CG2' HG21 ' A' ' 60' ' ' ILE . 9.4 m -73.72 -33.86 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.938 HG12 HD11 ' A' ' 64' ' ' LEU . 23.3 m -70.63 -58.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.646 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -48.81 -33.34 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.359 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.2 mmtt -78.06 -40.49 38.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.169 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.54 -71.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.7 mm-40 -37.33 -41.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.246 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.68 54.0 0.59 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.678 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -91.03 -49.86 6.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 0.749 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 -10.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -115.64 -12.01 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt 44.92 63.56 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' OD2' HG21 ' A' ' 26' ' ' VAL . 28.4 t0 -138.76 110.06 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -14.14 14.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.492 ' HA ' ' HZ3' ' A' ' 28' ' ' LYS . 25.7 m-20 -79.71 -59.33 2.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG21 ' OD2' ' A' ' 23' ' ' ASP . 2.0 t -69.76 -7.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.76 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.6 mt -91.18 -59.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.687 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.9 ptpp? -50.96 -40.37 57.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 13.9 mtpp -68.56 -49.85 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.765 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.7 m-20 -45.25 -49.86 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 1.012 ' CD2' HD21 ' A' ' 11' ' ' LEU . 9.5 t80 -46.85 -63.31 1.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 27.8 t0 -44.79 -40.39 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -48.88 -62.92 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.989 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -82.04 14.71 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 1.3 t -100.09 -63.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.085 . . . . 0.0 108.327 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.448 ' HA ' HG23 ' A' ' 46' ' ' THR . 1.0 OUTLIER -59.88 -29.8 68.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -79.81 -54.56 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.619 ' C ' HD21 ' A' ' 38' ' ' LEU . 2.5 tt -60.48 -57.42 12.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HD1' HD13 ' A' ' 42' ' ' ILE . 25.9 m-85 -88.14 30.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.53 ' CD2' HG21 ' A' ' 41' ' ' THR . 0.7 OUTLIER -57.71 -18.62 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.53 HG21 ' CD2' ' A' ' 40' ' ' HIS . 72.4 p -127.78 72.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.394 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.5 mt -149.48 142.2 15.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.11 106.96 2.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 77.15 -3.86 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.95 -59.86 7.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.448 HG23 ' HA ' ' A' ' 36' ' ' LYS . 68.8 p -59.62 -34.55 72.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -63.4 -45.27 91.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.505 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -69.48 -32.7 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 83.2 m -48.9 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.76 -29.59 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.17 9.9 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 1.013 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 14.6 t80 -114.88 -40.39 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.796 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.4 m -83.49 52.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t30 173.13 43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.68 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.563 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -116.31 -3.97 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.687 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.2 t -98.11 -20.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.07 -45.28 2.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.5 Cg_endo -74.96 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.732 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.2 mt -47.51 -49.22 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.169 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.9 mt -65.94 -25.8 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.731 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -73.12 -18.43 61.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.593 ' CB ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -81.86 -56.96 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.289 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.938 HD11 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -63.65 -47.73 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.819 ' HB3' ' HH ' ' A' ' 16' ' ' TYR . 0.9 OUTLIER -60.74 -27.89 68.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.41 -42.22 23.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.84 -20.35 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 3.5 m -59.35 165.65 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.691 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -98.24 165.42 15.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.89 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -75.01 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 6.07 9.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -114.86 -15.26 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.691 HG21 ' O ' ' A' ' 69' ' ' ALA . 1.9 t -69.51 -48.23 67.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -85.28 51.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.82 -60.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -30.7 70.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -88.81 15.76 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.7 22.31 1.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.529 ' OE1' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -89.08 41.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 3.7 t 179.03 135.66 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 108.267 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.544 1.813 . . . . 0.0 110.987 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.712 ' N ' HD13 ' A' ' 4' ' ' LEU . 4.4 p -44.97 -49.17 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLN . 34.8 m -58.13 -55.6 32.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -34.93 -59.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.569 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 9.3 mtt -46.19 -48.97 17.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.737 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -55.56 -31.94 62.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.51 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 tt0 -83.75 -4.52 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.67 HD11 ' CD ' ' A' ' 34' ' ' GLU . 41.2 tp -92.43 -41.51 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.647 HG13 ' CD2' ' A' ' 31' ' ' PHE . 16.5 m -71.62 -49.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.956 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.7 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.584 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.6 ttpp -44.95 -32.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.47 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 63.0 mmtt -82.5 -36.11 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.112 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.24 -67.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 2.8 pp20? -52.92 -29.44 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.44 67.58 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.728 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.7 t -104.51 -94.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.054 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 19' ' ' SER . . . 160.25 -35.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.08 -15.7 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 69.3 32.33 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.1 m-20 -92.92 114.81 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' HD2' ' A' ' 28' ' ' LYS . . . -66.55 -10.16 42.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -85.72 -53.81 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -76.15 -5.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 16' ' ' TYR . 19.7 mt -85.5 -52.49 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HE3' HG11 ' A' ' 57' ' ' VAL . 3.4 ptmt -63.39 -24.37 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -71.99 -48.87 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.874 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.4 m-20 -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.741 ' CD1' HG12 ' A' ' 53' ' ' VAL . 8.6 t80 -55.02 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' N ' ' HD1' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -56.03 -20.9 18.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -55.79 -72.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.67 ' CD ' HD11 ' A' ' 11' ' ' LEU . 1.5 pt-20 -73.21 -39.35 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.571 ' HB2' HD21 ' A' ' 11' ' ' LEU . 4.6 t -46.73 -24.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.552 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.4 OUTLIER -85.18 -60.55 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LEU . 26.6 mtpt -66.09 -63.74 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.653 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -40.12 -46.6 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.3 m-30 -116.94 49.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -77.29 -22.74 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.6 p -110.05 42.77 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.739 HG23 ' HD2' ' A' ' 43' ' ' PRO . 19.7 mm -117.67 143.07 31.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 2.1 t80 76.28 0.04 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -53.95 -65.07 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 36' ' ' LYS . 76.5 p -58.11 -30.8 66.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.456 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' C ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -64.23 -56.31 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.54 -29.78 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -49.14 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 108.309 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -25.07 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -83.78 4.05 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 33.6 t80 -112.76 -45.46 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.741 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.9 m -57.09 -17.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -136.04 69.34 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m 172.61 -34.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 8.9 mmtp -128.53 11.71 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.608 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -97.5 -45.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.653 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.93 -43.91 97.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.683 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.94 -55.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.576 HG21 ' CG2' ' A' ' 12' ' ' VAL . 11.1 mt -46.57 -55.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.112 HG23 ' CE2' ' A' ' 16' ' ' TYR . 9.0 mt -62.44 -21.31 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.683 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.32 -44.74 86.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.987 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -60.22 -60.63 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.956 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.61 -16.87 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.78 -31.7 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.35 -36.52 8.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.77 43.06 0.1 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.552 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.6 m -108.38 149.46 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -81.51 162.27 58.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.0 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.1 -25.22 11.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 69' ' ' ALA . 2.2 t -70.13 -54.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -70.82 67.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.655 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -178.77 -64.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.655 ' N ' HG22 ' A' ' 75' ' ' THR . 0.6 OUTLIER -74.74 -25.59 59.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.987 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -82.42 10.54 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . 70.9 m-20 38.98 33.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' OE1' ' CG1' ' A' ' 60' ' ' ILE . 17.9 pt-20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.792 HD23 ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -40.86 69.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -58.77 -51.21 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.85 -50.55 18.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.606 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 15.0 mtt -47.4 -44.16 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.787 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.4 -29.99 66.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -82.88 -7.21 59.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 31' ' ' PHE . 35.4 tp -89.64 -46.27 8.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.571 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.2 m -64.56 -53.12 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.836 HG12 HD11 ' A' ' 64' ' ' LEU . 27.9 m -58.55 -58.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' H ' HG23 ' A' ' 13' ' ' VAL . 3.1 ttpt -45.52 -30.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' SER . 64.6 mmtt -81.01 -37.67 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.995 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -76.66 -67.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.8 pp20? -47.26 -36.23 8.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 17' ' ' GLU . . . -115.89 48.2 0.96 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.675 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -98.33 -52.65 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.29 -4.93 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 -14.74 14.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 47.32 43.81 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 15.1 t0 -125.36 117.11 23.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.24 -5.89 39.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 9.0 m-80 -88.02 -51.23 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.4 -9.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 31.2 mt -84.51 -67.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 7.3 ptpp? -52.45 -34.97 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 18.2 mtpp -66.28 -43.16 87.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.36 -48.93 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.745 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.1 t80 -45.26 -53.83 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -23.77 63.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.4 -69.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 11' ' ' LEU . 16.6 tp10 -53.55 -28.29 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -46.16 51.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 7.4 mmtp -53.0 -19.97 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -107.03 -43.94 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.505 HD23 ' CE2' ' A' ' 39' ' ' PHE . 7.9 tp -64.46 -64.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.792 ' CE1' HD23 ' A' ' 4' ' ' LEU . 53.0 m-85 -88.71 33.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.737 ' CE1' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -67.67 -22.54 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.737 HG22 ' CE1' ' A' ' 40' ' ' HIS . 66.2 p -116.38 61.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.763 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.4 mt -146.01 143.65 19.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 106.57 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 77.03 -2.43 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.01 -45.15 51.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -70.95 -31.92 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 110.428 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -65.54 -61.14 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -28.98 28.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.544 ' O ' HG13 ' A' ' 53' ' ' VAL . 2.3 m -61.55 -53.77 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.73 -12.33 33.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -104.91 2.71 30.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 109.565 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.606 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 43.3 t80 -107.79 -43.96 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.745 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.2 m -56.47 -18.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -133.66 54.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.2 m -164.52 -50.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -113.76 11.06 17.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.598 HG21 ' HA ' ' A' ' 53' ' ' VAL . 1.6 t -95.87 -50.44 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.641 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 t0 -47.76 -44.6 57.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.94 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.571 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.8 mt -48.32 -58.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.995 HG23 ' CE2' ' A' ' 16' ' ' TYR . 4.1 mt -58.82 -21.6 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -63.5 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.955 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -79.32 -56.65 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.898 ' HG ' HG21 ' A' ' 73' ' ' VAL . 72.7 mt -45.07 -42.68 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 37.7 mt-10 -62.94 -39.68 95.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . . . -61.97 -37.31 94.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.58 -8.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.441 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 3.9 m -60.77 161.85 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.895 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -82.87 161.99 56.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.777 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.0 Cg_endo -75.07 -6.77 18.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 3.77 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 75' ' ' THR . 27.0 t70 -112.47 -29.61 7.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.955 HG22 ' HB3' ' A' ' 63' ' ' GLU . 54.7 t -45.62 -93.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.545 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.68 -47.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.716 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -38.01 -70.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.716 ' N ' HG22 ' A' ' 75' ' ' THR . 7.7 ptpt -67.71 -26.29 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -79.47 9.73 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' CYS . 2.3 m120 42.04 28.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 4.7 tm-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' SER . 3.7 mm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 71.1 p -37.1 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -64.59 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -38.61 -52.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 44.5 mtt -50.82 -35.77 34.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.661 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -60.54 -33.65 72.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 108.334 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.561 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.3 tp10 -79.51 -8.5 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.022 HD11 ' HB3' ' A' ' 34' ' ' GLU . 36.7 tp -90.65 -40.17 12.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 11.5 m -73.4 -49.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.918 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -57.92 -58.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.598 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 60.0 mmtt -77.41 -39.53 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.982 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -75.31 -67.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.984 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' VAL . 8.3 mm-40 -39.56 -40.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.12 48.12 0.97 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.167 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.8 p -80.97 -55.8 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.07 -7.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 21' ' ' ASP . 16.0 p-10 -114.96 -11.59 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.7 mmmt 47.52 62.06 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -144.75 120.63 10.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.97 -1.72 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.82 -46.84 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.6 t -78.74 -16.31 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 63.7 mt -77.2 -68.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -51.42 -34.12 33.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -67.79 -64.87 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.755 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 51.6 m-20 -41.98 -49.79 4.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.972 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.2 t80 -42.47 -57.78 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.453 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 7.4 t70 -53.73 -30.05 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.1 -52.85 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.022 ' HB3' HD11 ' A' ' 11' ' ' LEU . 39.6 tp10 -79.2 -7.64 58.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.609 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -77.57 -50.78 11.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 108.355 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 3.2 mtpt -66.28 -27.42 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -81.6 -55.93 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' CE1' ' A' ' 39' ' ' PHE . 6.1 tt -63.11 -57.69 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 35' ' ' CYS . 9.1 m-85 -85.91 30.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.434 ' CE1' HG23 ' A' ' 41' ' ' THR . 1.1 p80 -58.41 -29.87 66.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.612 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.434 HG23 ' CE1' ' A' ' 40' ' ' HIS . 21.7 p -119.69 70.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.733 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.1 mt -147.6 142.94 17.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.733 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 99.7 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 1.3 t80 76.3 0.86 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.38 -59.6 5.16 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.58 1.175 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.414 ' CB ' ' HE3' ' A' ' 36' ' ' LYS . 32.2 p -63.32 -39.98 96.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -36.05 61.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.26 -35.45 48.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -54.99 -41.82 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -38.37 87.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -85.88 12.46 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 44.7 t80 -111.07 -48.77 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 31.7 m -53.49 -19.78 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.42 69.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.58 -33.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 22.6 mttt -129.69 5.27 5.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -95.57 -45.2 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.639 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -50.59 -44.84 84.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -75.0 -56.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 9' ' ' CYS . 26.5 mt -45.32 -57.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.982 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -59.08 -23.19 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.603 ' CE1' ' CD ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -64.62 -46.04 84.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.636 ' HB3' HG22 ' A' ' 73' ' ' VAL . 1.7 mp0 -60.42 -51.26 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.918 HD11 HG12 ' A' ' 13' ' ' VAL . 24.3 mt -59.86 -37.61 79.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.5 -50.01 75.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.16 96.68 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.82 43.14 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.807 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.7 m -113.74 131.09 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -56.46 162.53 3.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.95 -15.64 20.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.07 3.58 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -107.55 -32.24 7.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 69' ' ' ALA . 2.3 t -68.64 -46.99 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.9 m -79.58 67.4 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -176.98 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 75' ' ' THR . 1.2 mttt -75.58 -26.53 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -85.37 10.85 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.242 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.78 34.04 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' CG ' ' HA ' ' A' ' 74' ' ' CYS . 18.4 pt-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.643 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' CYS . 7.2 t -52.2 -65.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' GLU . 8.6 tp60 -43.05 -55.23 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.595 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 14.6 mtt -49.83 -27.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -66.66 -33.29 75.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 22.1 tt0 -79.23 -8.74 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.959 HD23 ' CE2' ' A' ' 31' ' ' PHE . 65.0 tp -89.52 -43.96 10.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.719 HG11 HG23 ' A' ' 57' ' ' VAL . 17.9 m -67.29 -51.84 48.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.781 HG12 HD11 ' A' ' 64' ' ' LEU . 33.9 m -59.13 -57.4 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -46.05 -31.1 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 27.6 mmtt -82.34 -37.68 25.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.02 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -73.13 -66.29 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' A' ' 64' ' ' LEU . 12.3 mm-40 -45.2 -42.75 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.17 51.48 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.721 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -88.74 -48.92 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 87.1 58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER 162.12 -26.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 66.07 48.09 1.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.441 ' HB2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -113.18 111.37 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -7.4 18.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -56.1 3.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 23' ' ' ASP . 1.9 t -73.69 -7.07 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.597 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 47.1 mt -86.76 -76.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 27' ' ' ILE . 5.1 ptpp? -42.15 -38.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -64.97 -46.78 80.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.615 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -50.75 -52.13 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.959 ' CE2' HD23 ' A' ' 11' ' ' LEU . 3.4 t80 -44.31 -52.14 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.11 -31.79 70.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.91 -69.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.598 1.186 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.582 ' HB3' HD11 ' A' ' 11' ' ' LEU . 6.1 tp10 -47.34 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.76 ' HA ' HD23 ' A' ' 38' ' ' LEU . 49.0 t -45.38 -56.61 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 4.2 mmtp -39.62 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -99.18 -54.88 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -48.63 -44.4 37.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CD2' HD12 ' A' ' 42' ' ' ILE . 4.5 m-30 -116.85 46.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.702 ' CE1' HG23 ' A' ' 41' ' ' THR . 26.9 p-80 -67.3 -34.25 76.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.702 HG23 ' CE1' ' A' ' 40' ' ' HIS . 32.3 p -77.74 -44.92 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.784 HD12 ' CD2' ' A' ' 39' ' ' PHE . 3.5 mt -49.64 142.41 12.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.08 -94.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 17.1 p90 -50.61 -26.05 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.555 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -35.07 -61.92 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.6 p -59.04 -38.67 79.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.373 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 8.3 mtt180 -64.57 -58.93 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.44 -39.34 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.571 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -63.23 -42.47 99.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -5.29 36.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 1.85 15.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 66.8 t80 -101.82 -40.63 6.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.747 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -56.68 -17.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.04 64.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -175.05 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.479 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.5 mttt -128.8 10.06 5.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.719 HG23 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -95.07 -47.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.637 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.11 -44.56 80.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -57.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.832 HG23 HG11 ' A' ' 73' ' ' VAL . 23.6 mt -44.61 -59.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.02 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.13 -23.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -68.58 -25.4 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.948 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -76.55 -51.35 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.345 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 68' ' ' THR . 6.5 mt -64.91 -27.91 69.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.74 -48.03 70.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.21 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.899 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.4 m -115.38 135.81 53.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 1.049 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -65.87 170.58 4.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.03 -20.54 16.7 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -7.78 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 68' ' ' THR . 4.3 m-20 -98.01 -37.53 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 69' ' ' ALA . 61.0 t -50.09 -54.32 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.547 ' HA ' ' HG3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.76 54.82 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 108.241 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -145.43 -56.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' N ' HG22 ' A' ' 75' ' ' THR . 11.2 ptmt -82.82 -25.79 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 77' ' ' LEU . 5.2 mt -77.33 1.21 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.7 16.75 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.395 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.547 ' HG3' ' HA ' ' A' ' 74' ' ' CYS . 1.4 pp20? . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.357 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.679 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -51.02 -39.93 57.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.08 -58.88 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.8 mt-30 -50.46 -55.02 17.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.082 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.599 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 8.8 mtt -47.65 -43.46 26.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.623 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 t -58.68 -30.7 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.0 mt-10 -79.46 -8.83 59.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.908 HD23 ' CD2' ' A' ' 31' ' ' PHE . 62.9 tp -91.06 -40.05 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.682 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.0 m -72.73 -46.95 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.94 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -61.81 -59.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.1 tttp -45.11 -32.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 42.8 mmtt -78.13 -40.46 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.1 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.18 -71.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 2.4 pp20? -40.82 -36.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.4 46.59 1.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.618 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.53 -51.34 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 78.08 0.65 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.96 -11.57 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 44.82 50.5 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.565 ' OD2' HG23 ' A' ' 26' ' ' VAL . 11.2 t0 -135.47 107.7 7.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.83 -10.69 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -81.1 -50.22 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG23 ' OD2' ' A' ' 23' ' ' ASP . 2.5 t -76.72 -7.69 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.6 mt -88.98 -65.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.635 ' HB3' HG11 ' A' ' 57' ' ' VAL . 5.9 ptpp? -51.43 -40.13 58.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.6 mtpp -65.21 -47.51 76.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.725 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -49.44 -52.35 29.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.908 ' CD2' HD23 ' A' ' 11' ' ' LEU . 6.3 t80 -44.73 -56.35 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.672 ' HB2' HG11 ' A' ' 53' ' ' VAL . 47.9 t0 -60.03 -22.91 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -71.0 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.632 ' HB3' HD11 ' A' ' 11' ' ' LEU . 11.4 tp10 -56.0 -47.08 78.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.782 ' HA ' HD23 ' A' ' 38' ' ' LEU . 38.4 t -58.53 -48.16 81.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 3.5 mmtp -40.82 -37.47 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.55 -54.67 3.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.615 1.197 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.782 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -45.69 -47.03 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CE2' HD11 ' A' ' 4' ' ' LEU . 3.9 m-30 -117.73 42.78 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.445 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.06 -23.18 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' ILE . 38.3 p -90.81 -44.76 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.687 HG23 ' HD2' ' A' ' 43' ' ' PRO . 27.5 mm -38.91 141.9 0.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.09 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 1.1 p90 -107.87 33.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.644 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -91.05 -53.34 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 p -71.8 -32.34 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 4.6 mmm180 -68.99 -58.24 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.238 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -62.0 -31.24 71.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.591 ' O ' HG13 ' A' ' 53' ' ' VAL . 3.2 m -65.04 -51.99 58.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.41 -14.43 40.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -104.48 1.32 29.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.575 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 67.5 t80 -103.57 -41.15 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.754 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.5 m -56.46 -17.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -137.16 69.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t 179.53 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.948 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 60' ' ' ILE . 40.3 mttt -131.84 10.27 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.639 HG21 ' HA ' ' A' ' 53' ' ' VAL . 2.1 t -96.81 -44.45 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -52.62 -44.76 95.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.94 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.682 HG21 ' CG2' ' A' ' 12' ' ' VAL . 18.7 mt -44.89 -54.86 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.1 HG23 ' CE2' ' A' ' 16' ' ' TYR . 48.0 mt -59.18 -25.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.698 ' CE1' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.971 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -87.35 -43.57 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.94 HD11 HG12 ' A' ' 13' ' ' VAL . 17.1 mt -65.89 -41.44 91.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.35 -32.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.31 -48.79 49.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 -24.29 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 63' ' ' GLU . 29.1 m -54.12 149.9 8.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.49 166.98 24.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.672 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -75.05 -1.06 10.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.57 4.84 12.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -114.85 -38.09 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 69' ' ' ALA . 21.3 t -40.84 -56.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -78.22 70.33 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.738 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -176.58 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.738 ' N ' HG22 ' A' ' 75' ' ' THR . 11.2 ptpt -77.14 -40.69 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.971 HD22 ' HG2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -56.0 -16.61 5.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 44.7 t30 77.76 56.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 4.3 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -40.24 -57.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 9' ' ' CYS . 12.6 t -52.97 -68.29 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.166 . . . . 0.0 108.278 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' GLU . 1.1 mp0 -40.31 -56.59 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.611 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 50.8 mtt -45.56 -29.17 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.608 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -66.32 -44.6 82.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.218 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.504 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 mt-10 -66.59 -8.7 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.982 HD23 ' CE2' ' A' ' 31' ' ' PHE . 63.3 tp -91.34 -51.79 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG11 HG23 ' A' ' 57' ' ' VAL . 11.4 m -62.94 -47.56 92.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.91 HG12 HD11 ' A' ' 64' ' ' LEU . 18.9 m -59.54 -57.49 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.604 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.1 tttp -43.48 -35.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' SER . 30.5 mmtt -78.06 -40.53 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.144 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.83 -71.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 111.015 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.644 ' HG2' HD13 ' A' ' 64' ' ' LEU . 6.7 mm-40 -40.43 -37.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.79 46.87 1.07 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.668 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -84.43 -51.02 7.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.971 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.2 -8.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -114.99 -14.5 11.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 48.72 67.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.586 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -150.83 116.0 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.9 -8.83 24.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 12.3 t-20 -81.39 -50.06 9.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -76.61 -9.55 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.69 HG21 ' HB2' ' A' ' 16' ' ' TYR . 57.4 mt -89.84 -68.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.525 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -45.66 -43.48 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.2 mtpp -64.34 -53.7 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.6 m-20 -46.19 -55.22 7.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.982 ' CE2' HD23 ' A' ' 11' ' ' LEU . 3.1 t80 -41.15 -52.07 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.94 -38.05 78.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.98 -50.61 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HB3' HD11 ' A' ' 11' ' ' LEU . 8.8 tp10 -71.07 -63.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -39.51 -33.84 0.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' HIS . 10.6 mmtm -59.69 -77.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -27.33 61.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.622 HD22 ' CD1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.46 -56.25 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.667 ' CG ' HD12 ' A' ' 42' ' ' ILE . 14.7 m-30 -119.02 50.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.69 ' CD2' HG23 ' A' ' 41' ' ' THR . 4.2 p80 -65.8 -43.69 87.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' CD2' ' A' ' 40' ' ' HIS . 23.7 p -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.667 HD12 ' CG ' ' A' ' 39' ' ' PHE . 1.3 mt -50.66 141.07 18.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.99 -86.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.803 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -69.87 -0.86 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.58 -62.41 6.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -60.4 -31.76 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.11 -52.29 65.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -36.71 77.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.409 ' O ' HG13 ' A' ' 53' ' ' VAL . 89.5 m -58.38 -46.63 85.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.23 -17.49 62.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.25 8.11 43.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.642 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.611 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 38.7 t80 -108.14 -34.86 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.587 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 10.7 m -65.76 -10.95 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -141.19 63.13 1.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -176.0 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.503 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.3 mmtp -133.91 17.49 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.571 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.65 -24.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.663 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.39 -42.92 2.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.731 ' HA ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.98 -51.74 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 9' ' ' CYS . 16.9 mt -49.57 -43.67 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.144 HG23 ' CE2' ' A' ' 16' ' ' TYR . 78.4 mt -72.69 -20.55 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.731 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.819 ' HB3' HG22 ' A' ' 73' ' ' VAL . 2.6 mm-40 -84.29 -48.06 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.91 HD11 HG12 ' A' ' 13' ' ' VAL . 7.8 mt -66.05 -35.53 80.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 1.4 pp20? -75.34 -28.6 59.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.14 -45.06 12.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.19 -20.89 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.711 HG21 ' OE2' ' A' ' 63' ' ' GLU . 1.9 m -59.71 146.77 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -78.64 167.94 31.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.696 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.6 Cg_endo -74.94 -6.66 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.74 -2.14 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.561 ' CB ' HG23 ' A' ' 68' ' ' THR . 0.8 OUTLIER -103.4 -32.36 9.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -57.18 -47.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.88 59.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 173.23 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.68 63.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 77' ' ' LEU . 4.2 mt -89.36 22.39 2.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 m120 54.65 19.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' OE2' ' OH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 1.009 HD23 ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 1.009 ' N ' HD23 ' A' ' 4' ' ' LEU . 7.3 t -66.73 -49.02 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -56.94 -58.91 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 108.284 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -43.6 -51.98 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.522 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 16.5 mtt -47.61 -33.9 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.695 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -63.25 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 108.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' HG22 ' A' ' 13' ' ' VAL . 7.1 tt0 -74.58 -5.93 45.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.011 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.0 tp -92.9 -39.36 11.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.605 HG11 ' CG2' ' A' ' 57' ' ' VAL . 10.1 m -73.64 -47.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.732 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -64.08 -59.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.613 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.7 ttpp -43.89 -36.17 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 69.1 mmtt -77.33 -38.33 50.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.191 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.1 t80 -76.84 -72.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.5 pp20? -42.0 -30.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.64 40.37 2.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.5 p -78.56 -54.81 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.51 -6.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 1.1 p-10 -113.09 -18.57 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.9 mmmt 53.8 63.58 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.6 t0 -147.68 107.08 3.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -13.83 26.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.435 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 t30 -79.69 -38.24 33.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.23 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 23' ' ' ASP . 4.1 t -87.03 -7.81 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.881 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.9 mt -91.89 -59.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.713 ' CB ' HG11 ' A' ' 57' ' ' VAL . 3.9 ptpp? -53.77 -44.52 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.1 mtpp -67.08 -47.64 70.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.716 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.7 m-20 -48.95 -52.57 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.011 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.0 t80 -43.69 -56.4 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.424 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 44.4 t0 -49.19 -37.81 23.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -50.48 -56.98 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.7 tp10 -71.17 -56.23 6.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -39.36 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 108.358 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -68.86 -77.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.6 15.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.758 HD23 ' CE2' ' A' ' 39' ' ' PHE . 14.4 tp -77.84 -75.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.758 ' CE2' HD23 ' A' ' 38' ' ' LEU . 7.5 m-85 -93.09 31.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -49.27 -58.92 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.666 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 41' ' ' THR . 9.2 t -87.72 71.53 9.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mt -149.3 141.59 15.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.221 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 112.56 3.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.561 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.66 0.59 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' CA ' HG22 ' A' ' 42' ' ' ILE . . . -57.3 -63.11 5.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -61.14 -26.79 67.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.49 -44.37 78.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.24 -34.33 65.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' O ' HG13 ' A' ' 53' ' ' VAL . 73.6 m -51.07 -46.03 61.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.215 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -76.49 -25.11 53.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -89.67 14.08 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 20.3 t80 -117.41 -42.74 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.8 m -78.81 53.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 51.9 t30 175.43 40.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.1 t 177.62 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -111.95 -1.19 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.713 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -99.11 -23.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -77.24 -44.45 2.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.625 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.99 -51.19 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 13' ' ' VAL . 15.7 mt -48.26 -47.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.191 HG23 ' CE2' ' A' ' 16' ' ' TYR . 77.1 mt -67.84 -23.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.716 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.54 -17.26 62.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.568 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.982 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.07 -51.09 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD11 HG12 ' A' ' 13' ' ' VAL . 2.5 mt -65.29 -40.0 93.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 65' ' ' GLU . 1.3 pp20? -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.78 -55.4 9.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.09 43.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.568 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.4 m -123.17 140.34 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -67.88 163.41 50.19 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.613 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -74.99 -11.64 21.49 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -2.2 29.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.519 ' HB3' HG23 ' A' ' 68' ' ' THR . 7.0 t0 -102.98 -37.13 7.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 69' ' ' ALA . 4.0 t -51.99 -55.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -78.14 66.23 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -164.83 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.624 ' N ' HG22 ' A' ' 75' ' ' THR . 1.7 mttm -82.82 -17.61 43.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.982 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.0 mm? -83.07 -5.84 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.91 28.87 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 11.7 pt-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.678 HD12 ' HG3' ' A' ' 8' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -34.67 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.69 -67.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -57.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.678 ' HG3' HD12 ' A' ' 4' ' ' LEU . 21.9 mtt -51.24 -38.96 55.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -66.35 -37.13 84.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.533 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 3.8 mt-10 -74.36 -4.75 38.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.2 tp -93.06 -48.33 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.894 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.5 m -64.09 -44.82 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.135 HG12 HD11 ' A' ' 64' ' ' LEU . 34.4 m -64.11 -58.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.588 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.5 ttpt -43.98 -32.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' SER . 56.1 mmtt -81.27 -39.92 24.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.979 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -72.24 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' VAL . 30.7 mm-40 -46.28 -38.3 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.49 50.17 0.8 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -104.14 -43.46 5.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 0.802 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 66.03 10.35 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -119.6 -10.61 9.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mptt 42.51 42.47 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -121.78 115.69 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.388 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.36 -3.24 25.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 m120 -88.93 -46.35 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -83.29 -7.04 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.579 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 60.3 mt -90.56 -53.25 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.5 ptpp? -64.2 -33.0 74.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.0 mtpp -69.25 -51.68 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -49.01 -49.11 42.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 11' ' ' LEU . 2.0 t80 -47.46 -55.05 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 8.5 t0 -55.84 -21.16 18.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.35 -56.55 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.722 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.6 tp10 -83.53 16.45 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 6.5 t -117.4 -42.35 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.512 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.1 OUTLIER -63.29 -57.06 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -68.72 -33.43 73.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -59.8 -56.51 20.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE2' HD21 ' A' ' 4' ' ' LEU . 4.4 m-30 -122.92 57.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 2.7 t60 -68.08 -59.73 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' ILE . 5.2 t -52.62 -41.86 64.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.684 HG23 ' HD2' ' A' ' 43' ' ' PRO . 2.4 mm -38.29 141.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.684 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.92 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 11.6 p90 -107.51 30.92 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.662 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -87.56 -75.63 1.28 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 36' ' ' LYS . 47.8 p -57.42 -34.71 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -60.33 -49.24 78.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -69.83 -37.35 76.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 76.5 m -49.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.24 -27.66 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -87.77 9.52 21.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.637 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 23.8 t80 -114.57 -48.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.595 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 12.1 m -55.94 -22.41 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -134.36 58.29 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -172.51 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.488 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.3 mptt -124.63 15.48 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.59 -46.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -51.45 -44.88 90.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.5 Cg_endo -74.89 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.894 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.5 mt -45.64 -58.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.979 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.28 -22.84 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.22 -52.84 52.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.922 ' OE1' HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.19 -49.91 68.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.135 HD11 HG12 ' A' ' 13' ' ' VAL . 39.1 mt -59.82 -40.57 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.7 -56.48 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.91 -45.55 86.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.84 44.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.688 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.0 m -111.41 138.12 48.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -57.02 161.95 4.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.449 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.1 Cg_endo -74.97 -12.03 21.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -99.92 -20.82 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HB3' HG23 ' A' ' 68' ' ' THR . 1.4 m-20 -79.37 -28.89 41.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -66.97 -48.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 62.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -179.58 -51.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.612 ' C ' HD23 ' A' ' 77' ' ' LEU . 6.3 mttm -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.922 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.18 34.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 41.49 33.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.402 ' OE2' HG13 ' A' ' 60' ' ' ILE . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.23 -36.23 74.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 43.4 t -59.64 -58.13 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.27 -50.56 15.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.585 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 64.3 mtt -47.19 -38.72 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.611 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -59.28 -35.65 74.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 108.257 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 mt-10 -78.52 -6.96 56.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.936 HD23 ' CD2' ' A' ' 31' ' ' PHE . 67.8 tp -89.4 -48.59 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.614 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.8 m -63.63 -51.65 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.035 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -58.0 -58.29 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.602 ' N ' HG23 ' A' ' 13' ' ' VAL . 6.4 ttpt -44.33 -32.45 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 13.4 mmtt -78.66 -41.72 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.953 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.59 -66.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.996 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.5 mm-40 -40.48 -41.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.27 42.8 1.8 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.711 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.1 p -72.69 -51.11 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 85.27 -13.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -115.65 -28.83 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 66.07 62.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.663 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -144.06 115.59 8.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -10.76 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 2.2 m-20 -80.12 -42.29 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -83.43 -7.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.575 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.0 mt -91.76 -65.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.625 ' HB3' HG11 ' A' ' 57' ' ' VAL . 6.1 ptmt -49.89 -40.2 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 13.2 mtpp -69.43 -56.39 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.778 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.8 m-20 -42.43 -53.59 4.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.936 ' CD2' HD23 ' A' ' 11' ' ' LEU . 12.0 t80 -43.03 -63.41 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 12.0 t70 -44.73 -34.88 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -60.05 -57.46 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.6 tp10 -88.07 27.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.639 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.4 t -120.85 -56.42 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 5.5 mttt -65.74 -37.22 85.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -76.01 -42.55 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -70.29 -58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.705 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 54.6 m-85 -87.24 24.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -58.11 -18.36 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.691 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' ILE . 22.7 p -89.27 -56.42 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' THR . 3.9 mm -28.94 139.88 0.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.548 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.07 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.2 m-85 75.67 -2.52 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.47 -42.34 9.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' CD ' ' A' ' 36' ' ' LYS . 70.6 p -51.73 -47.18 64.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -52.57 -38.61 60.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -72.59 -35.52 67.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.66 -58.06 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.4 -28.22 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.18 -0.68 41.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 7.9 t80 -101.99 -29.62 11.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.2 m -90.31 34.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -179.22 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.55 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.9 mmtp -117.03 -5.47 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.625 HG11 ' HB3' ' A' ' 28' ' ' LYS . 1.7 t -97.39 -47.76 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -51.87 -43.73 89.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.0 Cg_endo -75.05 -56.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.614 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.3 mt -45.4 -58.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.953 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.7 mt -59.61 -22.33 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.627 ' CE1' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -65.13 -30.53 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.787 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -83.47 -57.86 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.035 ' CD1' HG12 ' A' ' 13' ' ' VAL . 4.7 mt -51.3 -46.47 62.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -61.56 -37.97 85.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.31 -27.15 72.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.3 -2.06 6.64 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 72' ' ' ASP . 3.0 m -70.51 158.17 36.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.907 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.08 163.87 41.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.705 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.97 -0.91 10.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -110.85 -8.21 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HB2' HG23 ' A' ' 68' ' ' THR . 64.3 m-20 -99.52 -33.98 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 69' ' ' ALA . 17.3 t -59.4 -52.79 56.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.0 70.52 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 175.03 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -75.32 -46.45 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' CD1' ' OE1' ' A' ' 63' ' ' GLU . 10.6 mt -87.18 17.45 4.29 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 49.55 39.68 17.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.726 ' OE2' HG12 ' A' ' 73' ' ' VAL . 12.3 pt-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.825 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -44.93 -33.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 9' ' ' CYS . 4.6 t -57.38 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.7 mt-30 -39.63 -53.05 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.625 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 30.8 mtt -45.29 -36.31 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.655 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -62.75 -41.34 99.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 108.237 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.569 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.8 mt-10 -69.64 -6.32 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 34' ' ' GLU . 24.0 tp -94.06 -39.79 10.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.505 HG11 ' CG2' ' A' ' 57' ' ' VAL . 7.0 m -74.49 -43.17 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.969 HG12 HD11 ' A' ' 64' ' ' LEU . 34.2 m -65.58 -60.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.628 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.45 -32.13 2.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 19' ' ' SER . 33.7 mmtt -80.7 -34.86 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.136 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.17 -69.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 13' ' ' VAL . 1.2 pp20? -60.5 -16.9 41.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.27 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 30.51 5.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.698 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -82.65 -54.39 5.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.46 -6.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 7.0 p-10 -109.82 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 5.1 mmtt 58.74 65.28 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.611 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -149.17 109.39 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -60.75 -12.62 11.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.14 -55.75 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -72.42 -4.97 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 65.8 mt -88.67 -67.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.684 ' HB3' HG11 ' A' ' 57' ' ' VAL . 8.5 ptmt -51.46 -37.64 49.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -66.93 -48.2 69.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.767 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -49.64 -53.35 24.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.704 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.7 t80 -43.55 -58.05 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.29 -28.8 3.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.32 -61.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.654 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.6 tp10 -83.45 25.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 13.6 t -123.64 -47.66 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 108.343 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -63.87 -38.29 90.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.71 -36.45 21.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.504 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.3 tp -65.91 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD2' ' SG ' ' A' ' 35' ' ' CYS . 14.5 m-85 -88.99 27.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -55.33 -51.38 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.616 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 43.1 p -55.17 -46.76 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.727 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.7 mt -43.78 142.94 1.8 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -106.69 32.83 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.609 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -85.45 -55.1 2.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.7 p -59.72 -41.96 92.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.761 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -60.16 -42.67 95.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.19 -28.73 62.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -55.05 -66.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.18 -26.48 60.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.2 0.29 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 37.6 t80 -112.42 -49.33 2.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.704 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.8 m -52.93 -21.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.54 70.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.6 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.526 1.142 . . . . 0.0 109.975 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 7.7 mmtt -127.91 3.73 5.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 28' ' ' LYS . 2.1 t -97.11 -43.67 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -54.6 -44.19 98.86 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.5 Cg_endo -75.03 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 56' ' ' LYS . 21.3 mt -45.79 -54.08 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.136 HG23 ' CE2' ' A' ' 16' ' ' TYR . 13.8 mt -61.6 -23.82 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.218 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.617 ' CE1' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -64.24 -46.84 82.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.776 ' HG2' HD21 ' A' ' 77' ' ' LEU . 1.2 tp10 -60.48 -52.36 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.301 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.969 HD11 HG12 ' A' ' 13' ' ' VAL . 6.0 mt -57.56 -35.69 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.438 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 4.8 mt-10 -64.76 -25.02 67.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.06 -24.32 45.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.4 2.42 7.57 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.67 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.8 m -70.76 141.3 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.893 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -68.52 163.37 54.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 -21.02 16.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -96.48 3.19 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.585 ' HB3' HG23 ' A' ' 68' ' ' THR . 7.5 t0 -105.9 -32.0 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 69' ' ' ALA . 4.1 t -63.38 -42.74 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.81 66.75 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.542 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER 174.38 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.542 ' N ' HG22 ' A' ' 75' ' ' THR . 0.9 OUTLIER -59.56 -36.29 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 73' ' ' VAL . 4.0 mm? -70.52 -6.33 35.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.36 29.49 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.384 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.741 HD12 ' CE1' ' A' ' 39' ' ' PHE . 3.5 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.7 t -37.95 -37.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.967 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -54.68 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' GLU . 9.4 tp60 -45.74 -51.18 12.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.642 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 31.9 mtt -46.08 -46.17 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.521 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -57.82 -32.15 67.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 108.243 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 18.6 mt-10 -82.43 -3.23 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.908 HD23 ' CE2' ' A' ' 31' ' ' PHE . 61.5 tp -93.46 -44.27 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' A' ' 60' ' ' ILE . 24.5 m -65.94 -37.55 80.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.22 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.027 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -67.68 -58.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.626 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -46.92 -31.81 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.527 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.8 mmtt -81.56 -40.41 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.925 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.01 -68.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' VAL . 50.1 mm-40 -43.73 -42.9 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.26 46.86 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.706 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -81.14 -49.66 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 58.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 162.83 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.71 62.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.361 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.61 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -135.07 102.67 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -52.03 -18.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 23' ' ' ASP . 78.0 m-20 -72.58 -54.67 8.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -72.44 -6.96 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 93.0 mt -90.75 -73.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HB3' HG11 ' A' ' 57' ' ' VAL . 9.0 ptmt -42.18 -39.64 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 10.2 mtpp -69.99 -45.73 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.185 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.716 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.3 m-20 -52.47 -49.68 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.908 ' CE2' HD23 ' A' ' 11' ' ' LEU . 1.9 t80 -48.45 -50.15 32.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.61 -25.17 37.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.47 -74.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.848 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.3 tp10 -50.11 -28.08 6.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 39' ' ' PHE . 4.1 t -73.97 -37.66 64.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.26 -0.78 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -115.77 -49.81 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.38 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -80.14 -48.64 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.741 ' CE1' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.53 7.09 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -52.9 63.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.659 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -54.94 -18.98 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.513 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 11.6 mm -79.24 140.96 57.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.03 -66.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.508 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -85.81 5.88 30.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' CA ' ' CD2' ' A' ' 39' ' ' PHE . . . -59.54 -76.41 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 46' ' ' THR . 75.8 p -38.49 -34.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.751 . . . . 0.0 110.415 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -65.61 -50.45 65.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -68.79 -26.09 65.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.1 m -53.5 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.276 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.79 -24.63 36.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -83.05 0.9 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.634 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 18.2 t80 -113.21 -48.93 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.764 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.6 m -54.52 -18.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 55' ' ' SER . 6.9 m-20 -136.77 72.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 165.81 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 13.2 mttp -132.41 9.5 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -97.81 -49.56 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -49.69 -43.56 73.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.703 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -56.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.796 HG21 HG21 ' A' ' 12' ' ' VAL . 10.0 mt -45.87 -59.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.925 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -58.67 -20.52 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.384 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.703 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.56 -29.06 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.713 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -82.65 -58.97 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.027 ' CD1' HG12 ' A' ' 13' ' ' VAL . 6.2 mt -50.98 -44.68 60.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.58 -31.91 73.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.53 64.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.34 -14.79 1.86 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.456 ' OG1' ' OE2' ' A' ' 63' ' ' GLU . 1.9 m -61.67 154.48 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.948 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -80.12 169.38 20.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.942 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.98 -15.26 20.88 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 14.45 23.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 81.3 m-20 -124.77 -0.38 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 69' ' ' ALA . 41.1 t -89.31 -38.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 79' ' ' GLU . 1.7 m -71.06 -6.54 39.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -114.65 -19.67 11.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.476 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.758 ' HG3' HD23 ' A' ' 77' ' ' LEU . 6.1 tptt -67.51 -70.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.758 HD23 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -86.33 32.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 37.62 31.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 8.3 mm-40 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.22 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 39' ' ' PHE . 1.9 mm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -35.02 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' CYS . 37.2 t -68.95 -76.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -39.49 -51.9 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.593 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 54.2 mtt -47.14 -40.57 15.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 1.168 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.66 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -58.99 -33.42 70.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 13' ' ' VAL . 31.5 tt0 -79.94 -6.07 56.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 31' ' ' PHE . 53.2 tp -91.19 -44.27 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 57' ' ' VAL . 16.5 m -68.01 -50.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -60.9 -59.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.606 ' N ' HG23 ' A' ' 13' ' ' VAL . 11.9 ttpt -44.67 -34.31 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' SER . 32.3 mmtt -77.13 -41.05 43.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.976 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.56 -71.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.7 mm-40 -36.91 -41.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.13 52.94 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.602 1.189 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.673 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -92.27 -45.9 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.23 -7.94 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -114.34 -22.15 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 2.4 mppt? 52.26 66.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.587 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -148.03 116.59 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -8.6 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.5 m-20 -82.87 -49.43 9.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -79.37 -10.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.693 HG21 ' HB2' ' A' ' 16' ' ' TYR . 62.9 mt -89.8 -74.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.0 ptmt -39.32 -44.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 14.0 mtpp -65.1 -52.47 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.8 m-20 -45.25 -55.28 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.77 ' O ' HD21 ' A' ' 11' ' ' LEU . 3.6 t80 -41.75 -52.1 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -51.8 -46.82 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.21 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.741 ' CB ' HD11 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -45.45 -44.59 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.618 ' SG ' ' CD2' ' A' ' 11' ' ' LEU . 24.9 m -55.81 -42.76 76.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.8 mtpt -74.71 -0.18 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.89 -47.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -100.17 -48.55 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE1' HD12 ' A' ' 4' ' ' LEU . 14.8 m-85 -85.94 14.34 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -64.25 -58.95 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.598 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.582 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 81.3 p -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -72.36 138.84 81.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.12 -74.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.55 -19.94 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.39 -47.2 63.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.411 1.069 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.1 p -73.09 -39.56 65.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -63.75 -45.15 91.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -39.53 69.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.491 ' SG ' ' HE1' ' A' ' 8' ' ' MET . 1.3 m -59.33 -44.86 92.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 108.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.46 -22.91 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.72 6.45 48.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 21.4 t80 -104.2 -36.66 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -82.36 51.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 55' ' ' SER . 10.7 t30 179.56 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.1 m 163.62 -28.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.53 ' O ' HD12 ' A' ' 60' ' ' ILE . 14.1 mmtt -118.99 -1.2 11.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.688 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.5 -43.48 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -57.75 -43.64 98.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.673 ' HA ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -75.0 -50.89 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.571 HG21 ' CG2' ' A' ' 12' ' ' VAL . 13.2 mt -49.16 -45.38 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.976 HG23 ' CE2' ' A' ' 16' ' ' TYR . 62.9 mt -73.08 -18.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.673 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -70.49 -27.87 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.728 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.54 -52.25 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.002 HD11 HG12 ' A' ' 13' ' ' VAL . 4.8 mt -60.09 -40.93 91.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 1.8 pp20? -70.68 -25.37 62.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.22 -38.05 30.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.4 -16.87 1.67 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.531 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 2.7 m -63.98 155.59 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.915 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -85.52 168.58 19.32 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.806 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -74.91 -17.99 19.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 10.26 41.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -115.71 -38.04 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.1 t -56.17 -47.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.88 57.5 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -156.74 -58.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 0.0 110.451 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.583 ' N ' HG22 ' A' ' 75' ' ' THR . 4.0 mttt -79.56 -38.4 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CB ' ' OE2' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -67.17 -7.12 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.89 35.17 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 12.6 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.975 HD23 ' N ' ' A' ' 5' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.975 ' N ' HD23 ' A' ' 4' ' ' LEU . 8.4 t -46.08 -41.76 12.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.061 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.75 -63.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.39 -47.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 39.8 mtt -51.4 -42.25 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.651 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -59.65 -31.44 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.518 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -80.11 -8.48 59.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.913 HD23 ' CD2' ' A' ' 31' ' ' PHE . 56.3 tp -90.64 -42.54 10.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.738 HG11 HG23 ' A' ' 57' ' ' VAL . 11.0 m -68.48 -48.37 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.785 HG12 HD11 ' A' ' 64' ' ' LEU . 29.9 m -60.82 -58.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.592 ' N ' HG23 ' A' ' 13' ' ' VAL . 8.3 tttp -43.73 -32.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -81.51 -40.54 23.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.047 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.47 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.813 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.7 mm-40 -46.73 -38.47 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.54 37.17 3.95 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.654 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.5 t -87.73 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.18 -1.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 14.2 p-10 -111.73 -15.9 13.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 3.3 mmmt 51.23 56.65 7.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.578 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -140.18 113.12 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -5.19 24.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 4.6 t-20 -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.578 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.09 -11.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.615 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.7 mt -85.8 -74.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.0 ptpp? -41.99 -36.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 15.7 mtpp -67.54 -47.57 69.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.771 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.71 -47.52 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.913 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.5 t80 -45.79 -54.8 7.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -57.92 -23.88 55.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.4 -73.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.225 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.794 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.5 tp10 -52.93 -29.61 29.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -67.12 -54.79 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 4.4 mmmm -50.42 -17.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 19.7 mtpp -102.11 -68.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -54.06 -52.17 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' CYS . 35.1 m-85 -88.62 36.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.718 ' C ' HG22 ' A' ' 41' ' ' THR . 2.8 t-160 -91.59 70.74 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.718 HG22 ' C ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER 164.53 -40.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.73 HG23 ' HD2' ' A' ' 43' ' ' PRO . 33.5 mm -40.12 142.96 0.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.93 26.23 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.535 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER 162.29 39.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.1 -62.6 1.0 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 39' ' ' PHE . 31.2 p -61.8 -30.17 70.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -72.14 -67.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -26.97 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 2.0 m -61.85 -55.08 33.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -57.5 -17.46 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.03 5.23 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 27.2 t80 -104.14 -51.94 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.555 HG12 ' CD1' ' A' ' 31' ' ' PHE . 10.4 m -49.48 -35.72 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.407 ' C ' ' OG ' ' A' ' 55' ' ' SER . 10.7 m120 -105.29 31.67 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.677 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -174.78 98.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.538 1.149 . . . . 0.0 110.024 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.677 ' CB ' ' O ' ' A' ' 55' ' ' SER . 13.8 mmtt 102.88 0.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.738 HG23 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -98.31 -22.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.661 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 t0 -78.31 -42.17 2.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.1 Cg_endo -75.07 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.587 1.835 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.613 HG23 HG11 ' A' ' 73' ' ' VAL . 53.9 mt -46.45 -48.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.047 HG23 ' CE2' ' A' ' 16' ' ' TYR . 81.8 mt -66.21 -27.33 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.694 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.17 -14.41 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.599 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 1.057 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -82.94 -50.43 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.395 1.06 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.953 HD23 ' O ' ' A' ' 68' ' ' THR . 0.9 OUTLIER -70.87 -27.45 63.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 1.6 mt-10 -68.1 -38.27 82.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.82 -51.92 6.76 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.67 42.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.953 ' O ' HD23 ' A' ' 64' ' ' LEU . 25.1 m -120.27 119.1 32.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.595 0.82 . . . . 0.0 110.383 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -51.86 163.79 0.62 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.758 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.03 -19.11 18.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 10.6 37.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.75 -38.29 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.73 HG22 ' HB3' ' A' ' 63' ' ' GLU . 11.0 t -51.62 -53.37 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.503 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.7 m -75.66 73.51 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER 179.23 -63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.524 ' N ' HG22 ' A' ' 75' ' ' THR . 6.5 tttp -73.53 -28.0 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.057 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -72.93 -2.15 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.93 23.93 14.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.503 ' CG ' ' HA ' ' A' ' 74' ' ' CYS . 5.4 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 8' ' ' MET . 1.6 mp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -48.66 -64.53 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 7' ' ' GLN . 13.2 m -61.04 -68.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 6' ' ' CYS . 3.3 mm-40 -33.04 -63.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 33.7 mtt -45.42 -47.05 13.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.693 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.5 t -60.6 -33.04 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.489 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.8 mt-10 -80.55 -4.95 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 31' ' ' PHE . 38.4 tp -92.66 -40.16 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.84 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.9 m -72.96 -49.64 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.042 HG12 HD11 ' A' ' 64' ' ' LEU . 34.8 m -61.48 -58.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.1 ttpp -44.89 -33.89 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 48.6 mmtt -77.94 -40.11 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.002 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.68 -67.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 mm-40 -39.69 -40.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.13 48.91 0.9 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.4 p -80.46 -54.75 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.75 -7.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -116.93 -9.2 11.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt 43.25 70.52 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.662 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -154.19 109.15 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -61.48 -12.83 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 5.6 t-20 -78.94 -40.0 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.662 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -85.87 -4.62 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.772 HG21 ' HB2' ' A' ' 16' ' ' TYR . 71.4 mt -94.04 -50.63 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.771 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.2 ptmt -67.6 -30.76 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.4 mtpp -75.05 -49.4 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -52.75 -50.46 63.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.829 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -52.74 -38.0 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.47 -30.23 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.73 -72.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.1 tp10 -48.18 -40.66 24.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 52.8 t -59.38 -55.71 31.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.46 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 31.8 mttt -59.25 -5.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -100.76 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -61.43 -48.64 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.577 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 18.4 m-85 -85.64 34.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 36' ' ' LYS . 30.4 t60 -89.4 -36.96 15.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.629 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.3 p -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.375 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -62.68 140.1 97.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.597 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 43' ' ' PRO . 6.2 m-85 -155.56 19.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.438 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -67.17 -58.78 7.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.401 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 73.7 p -55.07 -34.18 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -65.57 -49.18 69.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.75 -25.24 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' O ' HG13 ' A' ' 53' ' ' VAL . 88.7 m -53.55 -55.82 22.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.83 2.23 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.533 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.734 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 t80 -115.05 -42.71 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -81.45 48.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' SER . 64.6 t30 175.24 47.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.4 m 158.93 -23.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.067 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -119.34 -7.82 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.771 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -97.79 -48.61 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.638 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.48 -44.16 88.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.714 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.88 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.84 HG21 ' CG2' ' A' ' 12' ' ' VAL . 10.7 mt -43.57 -56.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.002 HG23 ' CE2' ' A' ' 16' ' ' TYR . 2.4 mt -58.8 -24.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.714 ' CG ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -62.99 -28.89 70.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.615 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.755 ' OE2' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -77.27 -50.85 11.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.042 HD11 HG12 ' A' ' 13' ' ' VAL . 22.4 mt -58.94 -37.48 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.65 -28.27 65.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.28 -40.61 19.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.16 -13.14 2.33 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.755 HG21 ' OE2' ' A' ' 63' ' ' GLU . 5.1 m -61.66 142.67 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.397 0.704 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.864 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -71.43 168.05 24.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.01 -21.72 15.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -96.66 10.24 39.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 68' ' ' THR . 4.1 m-20 -114.4 -35.07 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.2 t -58.55 -41.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.61 62.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.48 -59.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -67.98 -23.53 65.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.493 HD11 ' NE2' ' A' ' 62' ' ' HIS . 4.4 mm? -86.16 12.28 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m120 49.71 29.56 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.53 ' OE1' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -48.83 -50.31 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 1.3 t -48.31 -51.98 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tp60 -50.59 -52.94 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 55.5 mtt -49.26 -39.18 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.785 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -60.09 -31.9 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' HG22 ' A' ' 13' ' ' VAL . 3.2 mt-10 -80.24 -6.71 58.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.019 HD23 ' CD2' ' A' ' 31' ' ' PHE . 34.9 tp -93.25 -37.86 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.712 ' CG2' HG21 ' A' ' 60' ' ' ILE . 9.4 m -73.72 -33.86 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 HD11 ' A' ' 64' ' ' LEU . 23.3 m -70.63 -58.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.622 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -48.81 -33.34 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.359 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.2 mmtt -78.06 -40.49 38.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.177 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.54 -71.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.7 mm-40 -37.33 -41.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.246 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.68 54.0 0.59 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -91.03 -49.86 6.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 0.749 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 -10.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -115.64 -12.01 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt 44.92 63.56 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.457 ' OD2' HG23 ' A' ' 26' ' ' VAL . 28.4 t0 -138.76 110.06 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -14.14 14.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.404 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 25.7 m-20 -79.71 -59.33 2.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.457 HG23 ' OD2' ' A' ' 23' ' ' ASP . 2.0 t -69.76 -7.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.767 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.6 mt -91.18 -59.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.686 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.9 ptpp? -50.96 -40.37 57.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 13.9 mtpp -68.56 -49.85 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.7 m-20 -45.25 -49.86 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.019 ' CD2' HD23 ' A' ' 11' ' ' LEU . 9.5 t80 -46.85 -63.31 1.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 27.8 t0 -44.79 -40.39 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -48.88 -62.92 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.99 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -82.04 14.71 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 1.3 t -100.09 -63.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.085 . . . . 0.0 108.327 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HA ' HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -59.88 -29.8 68.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -79.81 -54.56 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.586 HD23 ' C ' ' A' ' 38' ' ' LEU . 2.5 tt -60.48 -57.42 12.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HD1' HD12 ' A' ' 42' ' ' ILE . 25.9 m-85 -88.14 30.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.479 ' CG ' HG23 ' A' ' 41' ' ' THR . 4.3 p-80 -57.71 -18.62 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.479 HG23 ' CG ' ' A' ' 40' ' ' HIS . 72.4 p -127.78 72.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.394 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.5 mt -149.48 142.2 15.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.11 106.96 2.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 77.15 -3.86 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.95 -59.86 7.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 36' ' ' LYS . 68.8 p -59.62 -34.55 72.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -63.4 -45.27 91.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -69.48 -32.7 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 83.2 m -48.9 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.76 -29.59 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.17 9.9 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 14.6 t80 -114.88 -40.39 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 m -83.49 52.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t30 173.13 43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.68 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -116.31 -3.97 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.686 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.2 t -98.11 -20.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.07 -45.28 2.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HA ' ' ND1' ' A' ' 62' ' ' HIS . 18.5 Cg_endo -74.96 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.712 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.2 mt -47.51 -49.22 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.177 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.9 mt -65.94 -25.8 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.731 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -73.12 -18.43 61.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.578 ' CB ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -81.86 -56.96 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.289 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.943 HD11 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -63.65 -47.73 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 62' ' ' HIS . 0.9 OUTLIER -60.74 -27.89 68.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.41 -42.22 23.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.84 -20.35 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 3.5 m -59.35 165.65 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.678 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -98.24 165.42 15.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.836 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -75.01 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 6.07 9.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -114.86 -15.26 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 69' ' ' ALA . 1.9 t -69.51 -48.23 67.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 51.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.82 -60.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -30.7 70.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -88.81 15.76 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.7 22.31 1.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.533 ' OE1' HD11 ' A' ' 60' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.71 85.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.04 -148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.12 -13.37 35.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.712 ' N ' HD13 ' A' ' 4' ' ' LEU . 4.4 p -44.97 -49.17 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLN . 34.8 m -58.13 -55.6 32.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -34.93 -59.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.569 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 9.3 mtt -46.19 -48.97 17.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.737 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -55.56 -31.94 62.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.51 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 tt0 -83.75 -4.52 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.67 HD11 ' CD ' ' A' ' 34' ' ' GLU . 41.2 tp -92.43 -41.51 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.647 HG13 ' CD2' ' A' ' 31' ' ' PHE . 16.5 m -71.62 -49.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.956 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.7 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.584 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.6 ttpp -44.95 -32.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 63.0 mmtt -82.5 -36.11 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.112 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.24 -67.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 2.8 pp20? -52.92 -29.44 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.44 67.58 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.728 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.7 t -104.51 -94.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.054 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 19' ' ' SER . . . 160.25 -35.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.08 -15.7 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 69.3 32.33 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.1 m-20 -92.92 114.81 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' HD2' ' A' ' 28' ' ' LYS . . . -66.55 -10.16 42.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -85.72 -53.81 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -76.15 -5.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 16' ' ' TYR . 19.7 mt -85.5 -52.49 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HE3' HG11 ' A' ' 57' ' ' VAL . 3.4 ptmt -63.39 -24.37 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -71.99 -48.87 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.874 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.4 m-20 -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.741 ' CD1' HG12 ' A' ' 53' ' ' VAL . 8.6 t80 -55.02 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' N ' ' HD1' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -56.03 -20.9 18.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -55.79 -72.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.67 ' CD ' HD11 ' A' ' 11' ' ' LEU . 1.5 pt-20 -73.21 -39.35 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.571 ' HB2' HD21 ' A' ' 11' ' ' LEU . 4.6 t -46.73 -24.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.552 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.4 OUTLIER -85.18 -60.55 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LEU . 26.6 mtpt -66.09 -63.74 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.653 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -40.12 -46.6 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.3 m-30 -116.94 49.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -77.29 -22.74 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.6 p -110.05 42.77 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.739 HG23 ' HD2' ' A' ' 43' ' ' PRO . 19.7 mm -117.67 143.07 31.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 2.1 t80 76.28 0.04 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -53.95 -65.07 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 36' ' ' LYS . 76.5 p -58.11 -30.8 66.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.456 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' C ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -64.23 -56.31 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.54 -29.78 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -49.14 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 108.309 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -25.07 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -83.78 4.05 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 33.6 t80 -112.76 -45.46 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.741 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.9 m -57.09 -17.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -136.04 69.34 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m 172.61 -34.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 8.9 mmtp -128.53 11.71 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.608 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -97.5 -45.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.653 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.93 -43.91 97.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.683 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.94 -55.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.576 HG21 ' CG2' ' A' ' 12' ' ' VAL . 11.1 mt -46.57 -55.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.112 HG23 ' CE2' ' A' ' 16' ' ' TYR . 9.0 mt -62.44 -21.31 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.683 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.32 -44.74 86.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.987 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -60.22 -60.63 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.956 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.61 -16.87 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.78 -31.7 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.35 -36.52 8.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.77 43.06 0.1 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.552 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.6 m -108.38 149.46 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -81.51 162.27 58.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.0 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.1 -25.22 11.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 69' ' ' ALA . 2.2 t -70.13 -54.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -70.82 67.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.655 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -178.77 -64.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.655 ' N ' HG22 ' A' ' 75' ' ' THR . 0.6 OUTLIER -74.74 -25.59 59.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.987 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -82.42 10.54 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . 70.9 m-20 38.98 33.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' OE1' ' CG1' ' A' ' 60' ' ' ILE . 17.9 pt-20 -95.73 -41.24 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.584 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -50.59 -48.88 81.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 108.272 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.532 1.806 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -95.33 102.06 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.31 -146.02 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.414 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.792 HD23 ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -75.45 -3.04 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -40.86 69.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.593 ' HB2' ' CA ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -58.77 -51.21 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.85 -50.55 18.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.606 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 15.0 mtt -47.4 -44.16 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.787 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.4 -29.99 66.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -82.88 -7.21 59.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 31' ' ' PHE . 35.4 tp -89.64 -46.27 8.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.571 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.2 m -64.56 -53.12 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.836 HG12 HD11 ' A' ' 64' ' ' LEU . 27.9 m -58.55 -58.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' H ' HG23 ' A' ' 13' ' ' VAL . 3.1 ttpt -45.52 -30.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' SER . 64.6 mmtt -81.01 -37.67 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.995 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -76.66 -67.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.8 pp20? -47.26 -36.23 8.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 17' ' ' GLU . . . -115.89 48.2 0.96 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.675 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -98.33 -52.65 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.29 -4.93 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 -14.74 14.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 47.32 43.81 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 15.1 t0 -125.36 117.11 23.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.24 -5.89 39.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 9.0 m-80 -88.02 -51.23 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.4 -9.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 31.2 mt -84.51 -67.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 7.3 ptpp? -52.45 -34.97 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 18.2 mtpp -66.28 -43.16 87.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.36 -48.93 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.745 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.1 t80 -45.26 -53.83 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -23.77 63.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.4 -69.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 11' ' ' LEU . 16.6 tp10 -53.55 -28.29 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -46.16 51.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 7.4 mmtp -53.0 -19.97 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -107.03 -43.94 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.505 HD23 ' CE2' ' A' ' 39' ' ' PHE . 7.9 tp -64.46 -64.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.792 ' CE1' HD23 ' A' ' 4' ' ' LEU . 53.0 m-85 -88.71 33.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.737 ' CE1' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -67.67 -22.54 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.737 HG22 ' CE1' ' A' ' 40' ' ' HIS . 66.2 p -116.38 61.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.763 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.4 mt -146.01 143.65 19.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 106.57 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 77.03 -2.43 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.01 -45.15 51.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -70.95 -31.92 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 110.428 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -65.54 -61.14 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -28.98 28.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.544 ' O ' HG13 ' A' ' 53' ' ' VAL . 2.3 m -61.55 -53.77 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.73 -12.33 33.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -104.91 2.71 30.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 109.565 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.606 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 43.3 t80 -107.79 -43.96 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.745 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.2 m -56.47 -18.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -133.66 54.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.2 m -164.52 -50.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -113.76 11.06 17.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG21 ' HA ' ' A' ' 53' ' ' VAL . 1.6 t -95.87 -50.44 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.641 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 t0 -47.76 -44.6 57.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.94 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.571 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.8 mt -48.32 -58.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.995 HG23 ' CE2' ' A' ' 16' ' ' TYR . 4.1 mt -58.82 -21.6 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.511 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -63.5 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.955 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -79.32 -56.65 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.898 ' HG ' HG21 ' A' ' 73' ' ' VAL . 72.7 mt -45.07 -42.68 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 37.7 mt-10 -62.94 -39.68 95.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . . . -61.97 -37.31 94.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.58 -8.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.441 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 3.9 m -60.77 161.85 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.895 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -82.87 161.99 56.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.777 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.0 Cg_endo -75.07 -6.77 18.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 3.77 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 75' ' ' THR . 27.0 t70 -112.47 -29.61 7.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.955 HG22 ' HB3' ' A' ' 63' ' ' GLU . 54.7 t -45.62 -93.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.545 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.68 -47.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.716 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -38.01 -70.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.716 ' N ' HG22 ' A' ' 75' ' ' THR . 7.7 ptpt -67.71 -26.29 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -79.47 9.73 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' CYS . 2.3 m120 42.04 28.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 4.7 tm-20 -106.91 66.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.593 ' CA ' ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 169.43 -54.47 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 108.324 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.2 OUTLIER 176.12 46.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.027 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 177.53 -64.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' SER . 3.7 mm? -47.34 -59.04 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 71.1 p -37.1 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -64.59 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -38.61 -52.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 44.5 mtt -50.82 -35.77 34.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.661 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -60.54 -33.65 72.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 108.334 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.561 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.3 tp10 -79.51 -8.5 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.022 HD11 ' HB3' ' A' ' 34' ' ' GLU . 36.7 tp -90.65 -40.17 12.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 11.5 m -73.4 -49.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.918 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -57.92 -58.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.598 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 60.0 mmtt -77.41 -39.53 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.982 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -75.31 -67.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.984 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' VAL . 8.3 mm-40 -39.56 -40.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.12 48.12 0.97 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.167 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.8 p -80.97 -55.8 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.07 -7.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 21' ' ' ASP . 16.0 p-10 -114.96 -11.59 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.7 mmmt 47.52 62.06 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -144.75 120.63 10.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.97 -1.72 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.82 -46.84 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.6 t -78.74 -16.31 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 63.7 mt -77.2 -68.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -51.42 -34.12 33.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -67.79 -64.87 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.755 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 51.6 m-20 -41.98 -49.79 4.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.972 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.2 t80 -42.47 -57.78 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.453 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 7.4 t70 -53.73 -30.05 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.1 -52.85 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.022 ' HB3' HD11 ' A' ' 11' ' ' LEU . 39.6 tp10 -79.2 -7.64 58.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.609 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -77.57 -50.78 11.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 108.355 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 3.2 mtpt -66.28 -27.42 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -81.6 -55.93 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' CE1' ' A' ' 39' ' ' PHE . 6.1 tt -63.11 -57.69 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 35' ' ' CYS . 9.1 m-85 -85.91 30.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.434 ' CE1' HG23 ' A' ' 41' ' ' THR . 1.1 p80 -58.41 -29.87 66.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.612 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.434 HG23 ' CE1' ' A' ' 40' ' ' HIS . 21.7 p -119.69 70.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.733 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.1 mt -147.6 142.94 17.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.733 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 99.7 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 1.3 t80 76.3 0.86 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.38 -59.6 5.16 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.58 1.175 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.414 ' CB ' ' HE3' ' A' ' 36' ' ' LYS . 32.2 p -63.32 -39.98 96.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -36.05 61.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.26 -35.45 48.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -54.99 -41.82 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -38.37 87.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -85.88 12.46 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 44.7 t80 -111.07 -48.77 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 31.7 m -53.49 -19.78 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.42 69.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.58 -33.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 22.6 mttt -129.69 5.27 5.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -95.57 -45.2 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.639 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -50.59 -44.84 84.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -75.0 -56.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 9' ' ' CYS . 26.5 mt -45.32 -57.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.982 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -59.08 -23.19 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.603 ' CE1' ' CD ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -64.62 -46.04 84.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.636 ' HB3' HG22 ' A' ' 73' ' ' VAL . 1.7 mp0 -60.42 -51.26 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.918 HD11 HG12 ' A' ' 13' ' ' VAL . 24.3 mt -59.86 -37.61 79.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.5 -50.01 75.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.16 96.68 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.82 43.14 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.807 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.7 m -113.74 131.09 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -56.46 162.53 3.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.95 -15.64 20.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.07 3.58 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -107.55 -32.24 7.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 69' ' ' ALA . 2.3 t -68.64 -46.99 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.9 m -79.58 67.4 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -176.98 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 75' ' ' THR . 1.2 mttt -75.58 -26.53 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -85.37 10.85 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.242 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.78 34.04 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' CG ' ' HA ' ' A' ' 74' ' ' CYS . 18.4 pt-20 -109.16 12.72 24.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 74' ' ' CYS . 33.8 t -177.34 96.16 0.23 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 108.307 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t 179.09 130.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.35 -153.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.643 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -41.1 -38.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' CYS . 7.2 t -52.2 -65.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' GLU . 8.6 tp60 -43.05 -55.23 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.595 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 14.6 mtt -49.83 -27.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -66.66 -33.29 75.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 22.1 tt0 -79.23 -8.74 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.959 HD23 ' CE2' ' A' ' 31' ' ' PHE . 65.0 tp -89.52 -43.96 10.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.719 HG11 HG23 ' A' ' 57' ' ' VAL . 17.9 m -67.29 -51.84 48.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.781 HG12 HD11 ' A' ' 64' ' ' LEU . 33.9 m -59.13 -57.4 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -46.05 -31.1 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 27.6 mmtt -82.34 -37.68 25.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.02 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -73.13 -66.29 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' A' ' 64' ' ' LEU . 12.3 mm-40 -45.2 -42.75 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.17 51.48 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.721 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -88.74 -48.92 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 87.1 58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER 162.12 -26.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 66.07 48.09 1.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' HB2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -113.18 111.37 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -7.4 18.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -56.1 3.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 23' ' ' ASP . 1.9 t -73.69 -7.07 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.597 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 47.1 mt -86.76 -76.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 27' ' ' ILE . 5.1 ptpp? -42.15 -38.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -64.97 -46.78 80.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.615 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -50.75 -52.13 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.959 ' CE2' HD23 ' A' ' 11' ' ' LEU . 3.4 t80 -44.31 -52.14 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.11 -31.79 70.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.91 -69.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.598 1.186 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.582 ' HB3' HD11 ' A' ' 11' ' ' LEU . 6.1 tp10 -47.34 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.76 ' HA ' HD23 ' A' ' 38' ' ' LEU . 49.0 t -45.38 -56.61 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 4.2 mmtp -39.62 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -99.18 -54.88 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -48.63 -44.4 37.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CD2' HD12 ' A' ' 42' ' ' ILE . 4.5 m-30 -116.85 46.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.702 ' CE1' HG23 ' A' ' 41' ' ' THR . 26.9 p-80 -67.3 -34.25 76.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.702 HG23 ' CE1' ' A' ' 40' ' ' HIS . 32.3 p -77.74 -44.92 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.784 HD12 ' CD2' ' A' ' 39' ' ' PHE . 3.5 mt -49.64 142.41 12.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.08 -94.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 17.1 p90 -50.61 -26.05 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.555 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -35.07 -61.92 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.6 p -59.04 -38.67 79.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.373 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 8.3 mtt180 -64.57 -58.93 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.44 -39.34 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.571 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -63.23 -42.47 99.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -5.29 36.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 1.85 15.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 66.8 t80 -101.82 -40.63 6.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.747 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -56.68 -17.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.04 64.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -175.05 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.5 mttt -128.8 10.06 5.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.719 HG23 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -95.07 -47.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.637 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.11 -44.56 80.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -57.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.832 HG23 HG11 ' A' ' 73' ' ' VAL . 23.6 mt -44.61 -59.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.02 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.13 -23.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -68.58 -25.4 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.948 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -76.55 -51.35 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.345 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 68' ' ' THR . 6.5 mt -64.91 -27.91 69.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.74 -48.03 70.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.21 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.899 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.4 m -115.38 135.81 53.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 1.049 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -65.87 170.58 4.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.03 -20.54 16.7 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -7.78 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 68' ' ' THR . 4.3 m-20 -98.01 -37.53 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 69' ' ' ALA . 61.0 t -50.09 -54.32 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.547 ' HA ' ' HG3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.76 54.82 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 108.241 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -145.43 -56.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' N ' HG22 ' A' ' 75' ' ' THR . 11.2 ptmt -82.82 -25.79 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 77' ' ' LEU . 5.2 mt -77.33 1.21 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.7 16.75 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.395 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.547 ' HG3' ' HA ' ' A' ' 74' ' ' CYS . 1.4 pp20? -99.82 56.86 0.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 74' ' ' CYS . 0.2 OUTLIER 166.12 150.52 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.451 1.763 . . . . 0.0 111.044 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.9 OUTLIER 79.03 50.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.95 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.05 -83.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.679 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -74.09 -37.93 64.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -51.02 -39.93 57.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.08 -58.88 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.8 mt-30 -50.46 -55.02 17.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.082 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.599 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 8.8 mtt -47.65 -43.46 26.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.623 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 t -58.68 -30.7 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.0 mt-10 -79.46 -8.83 59.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.908 HD23 ' CD2' ' A' ' 31' ' ' PHE . 62.9 tp -91.06 -40.05 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.682 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.0 m -72.73 -46.95 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.94 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -61.81 -59.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.1 tttp -45.11 -32.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 42.8 mmtt -78.13 -40.46 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.1 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.18 -71.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 2.4 pp20? -40.82 -36.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.4 46.59 1.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.618 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.53 -51.34 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 78.08 0.65 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.96 -11.57 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 44.82 50.5 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.565 ' OD2' HG23 ' A' ' 26' ' ' VAL . 11.2 t0 -135.47 107.7 7.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.83 -10.69 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -81.1 -50.22 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG23 ' OD2' ' A' ' 23' ' ' ASP . 2.5 t -76.72 -7.69 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.6 mt -88.98 -65.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.635 ' HB3' HG11 ' A' ' 57' ' ' VAL . 5.9 ptpp? -51.43 -40.13 58.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.6 mtpp -65.21 -47.51 76.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.725 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -49.44 -52.35 29.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.908 ' CD2' HD23 ' A' ' 11' ' ' LEU . 6.3 t80 -44.73 -56.35 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.672 ' HB2' HG11 ' A' ' 53' ' ' VAL . 47.9 t0 -60.03 -22.91 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -71.0 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.632 ' HB3' HD11 ' A' ' 11' ' ' LEU . 11.4 tp10 -56.0 -47.08 78.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.782 ' HA ' HD23 ' A' ' 38' ' ' LEU . 38.4 t -58.53 -48.16 81.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 3.5 mmtp -40.82 -37.47 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.55 -54.67 3.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.615 1.197 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.782 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -45.69 -47.03 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CE2' HD11 ' A' ' 4' ' ' LEU . 3.9 m-30 -117.73 42.78 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.445 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.06 -23.18 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' ILE . 38.3 p -90.81 -44.76 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.687 HG23 ' HD2' ' A' ' 43' ' ' PRO . 27.5 mm -38.91 141.9 0.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.09 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 1.1 p90 -107.87 33.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.644 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -91.05 -53.34 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 p -71.8 -32.34 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 4.6 mmm180 -68.99 -58.24 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.238 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -62.0 -31.24 71.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.591 ' O ' HG13 ' A' ' 53' ' ' VAL . 3.2 m -65.04 -51.99 58.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.41 -14.43 40.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -104.48 1.32 29.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.575 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 67.5 t80 -103.57 -41.15 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.754 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.5 m -56.46 -17.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -137.16 69.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t 179.53 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.948 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 60' ' ' ILE . 40.3 mttt -131.84 10.27 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.639 HG21 ' HA ' ' A' ' 53' ' ' VAL . 2.1 t -96.81 -44.45 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -52.62 -44.76 95.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.94 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.682 HG21 ' CG2' ' A' ' 12' ' ' VAL . 18.7 mt -44.89 -54.86 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.1 HG23 ' CE2' ' A' ' 16' ' ' TYR . 48.0 mt -59.18 -25.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.698 ' CE1' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.971 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -87.35 -43.57 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.94 HD11 HG12 ' A' ' 13' ' ' VAL . 17.1 mt -65.89 -41.44 91.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.35 -32.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.31 -48.79 49.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 -24.29 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 63' ' ' GLU . 29.1 m -54.12 149.9 8.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.49 166.98 24.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.672 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -75.05 -1.06 10.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.57 4.84 12.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -114.85 -38.09 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 69' ' ' ALA . 21.3 t -40.84 -56.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.482 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -78.22 70.33 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.738 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -176.58 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.738 ' N ' HG22 ' A' ' 75' ' ' THR . 11.2 ptpt -77.14 -40.69 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.971 HD22 ' HG2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -56.0 -16.61 5.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 44.7 t30 77.76 56.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' N ' ' HD2' ' A' ' 81' ' ' PRO . 4.3 mm-40 -105.73 -72.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.607 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 3.0 m -55.6 -47.46 98.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.389 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.432 ' CZ ' ' O ' ' A' ' 1' ' ' ARG . 5.1 ttp85 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 3.3 p -179.81 46.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 169.27 -74.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 3' ' ' ALA . 2.3 mm? -39.32 -62.51 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -40.24 -57.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 9' ' ' CYS . 12.6 t -52.97 -68.29 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.166 . . . . 0.0 108.278 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' GLU . 1.1 mp0 -40.31 -56.59 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.611 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 50.8 mtt -45.56 -29.17 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.608 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -66.32 -44.6 82.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.218 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 mt-10 -66.59 -8.7 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.982 HD23 ' CE2' ' A' ' 31' ' ' PHE . 63.3 tp -91.34 -51.79 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG11 HG23 ' A' ' 57' ' ' VAL . 11.4 m -62.94 -47.56 92.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.91 HG12 HD11 ' A' ' 64' ' ' LEU . 18.9 m -59.54 -57.49 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.604 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.1 tttp -43.48 -35.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' SER . 30.5 mmtt -78.06 -40.53 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.144 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.83 -71.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 111.015 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.644 ' HG2' HD13 ' A' ' 64' ' ' LEU . 6.7 mm-40 -40.43 -37.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.79 46.87 1.07 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.668 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -84.43 -51.02 7.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.971 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.2 -8.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -114.99 -14.5 11.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 48.72 67.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.586 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -150.83 116.0 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.9 -8.83 24.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 12.3 t-20 -81.39 -50.06 9.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -76.61 -9.55 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.69 HG21 ' HB2' ' A' ' 16' ' ' TYR . 57.4 mt -89.84 -68.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.525 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -45.66 -43.48 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.2 mtpp -64.34 -53.7 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.6 m-20 -46.19 -55.22 7.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.982 ' CE2' HD23 ' A' ' 11' ' ' LEU . 3.1 t80 -41.15 -52.07 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.94 -38.05 78.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.98 -50.61 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HB3' HD11 ' A' ' 11' ' ' LEU . 8.8 tp10 -71.07 -63.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -39.51 -33.84 0.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' HIS . 10.6 mmtm -59.69 -77.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -27.33 61.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.622 HD22 ' CD1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.46 -56.25 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.667 ' CG ' HD12 ' A' ' 42' ' ' ILE . 14.7 m-30 -119.02 50.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.69 ' CD2' HG23 ' A' ' 41' ' ' THR . 4.2 p80 -65.8 -43.69 87.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' CD2' ' A' ' 40' ' ' HIS . 23.7 p -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.667 HD12 ' CG ' ' A' ' 39' ' ' PHE . 1.3 mt -50.66 141.07 18.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.99 -86.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.803 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -69.87 -0.86 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.58 -62.41 6.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -60.4 -31.76 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.11 -52.29 65.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -36.71 77.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.409 ' O ' HG13 ' A' ' 53' ' ' VAL . 89.5 m -58.38 -46.63 85.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.23 -17.49 62.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.25 8.11 43.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.642 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.611 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 38.7 t80 -108.14 -34.86 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.587 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 10.7 m -65.76 -10.95 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -141.19 63.13 1.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -176.0 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.503 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.3 mmtp -133.91 17.49 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.571 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.65 -24.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.663 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.39 -42.92 2.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.731 ' HA ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.98 -51.74 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 9' ' ' CYS . 16.9 mt -49.57 -43.67 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.144 HG23 ' CE2' ' A' ' 16' ' ' TYR . 78.4 mt -72.69 -20.55 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.731 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.819 ' HB3' HG22 ' A' ' 73' ' ' VAL . 2.6 mm-40 -84.29 -48.06 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.91 HD11 HG12 ' A' ' 13' ' ' VAL . 7.8 mt -66.05 -35.53 80.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 1.4 pp20? -75.34 -28.6 59.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.14 -45.06 12.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.19 -20.89 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.711 HG21 ' OE2' ' A' ' 63' ' ' GLU . 1.9 m -59.71 146.77 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -78.64 167.94 31.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.696 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.6 Cg_endo -74.94 -6.66 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.74 -2.14 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.561 ' CB ' HG23 ' A' ' 68' ' ' THR . 0.8 OUTLIER -103.4 -32.36 9.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -57.18 -47.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.438 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -74.88 59.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 108.265 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 173.23 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.68 63.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 77' ' ' LEU . 4.2 mt -89.36 22.39 2.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 m120 54.65 19.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -56.56 -72.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 74' ' ' CYS . 1.5 m -42.19 163.46 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.351 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.462 1.77 . . . . 0.0 111.007 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 2' ' ' SER . 7.1 ptp85 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 1' ' ' ARG . 37.9 m -68.84 104.33 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.6 -140.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.009 HD23 ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -63.37 -13.13 36.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 1.009 ' N ' HD23 ' A' ' 4' ' ' LEU . 7.3 t -66.73 -49.02 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -56.94 -58.91 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 108.284 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -43.6 -51.98 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.522 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 16.5 mtt -47.61 -33.9 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.695 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -63.25 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 108.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' HG22 ' A' ' 13' ' ' VAL . 7.1 tt0 -74.58 -5.93 45.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.011 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.0 tp -92.9 -39.36 11.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.605 HG11 ' CG2' ' A' ' 57' ' ' VAL . 10.1 m -73.64 -47.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.732 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -64.08 -59.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.613 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.7 ttpp -43.89 -36.17 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 69.1 mmtt -77.33 -38.33 50.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.191 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.1 t80 -76.84 -72.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.5 pp20? -42.0 -30.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.64 40.37 2.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.5 p -78.56 -54.81 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.51 -6.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 1.1 p-10 -113.09 -18.57 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.9 mmmt 53.8 63.58 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.6 t0 -147.68 107.08 3.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -13.83 26.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.435 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 t30 -79.69 -38.24 33.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.23 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 23' ' ' ASP . 4.1 t -87.03 -7.81 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.881 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.9 mt -91.89 -59.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.713 ' CB ' HG11 ' A' ' 57' ' ' VAL . 3.9 ptpp? -53.77 -44.52 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.1 mtpp -67.08 -47.64 70.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.716 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.7 m-20 -48.95 -52.57 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.011 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.0 t80 -43.69 -56.4 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.424 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 44.4 t0 -49.19 -37.81 23.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -50.48 -56.98 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.7 tp10 -71.17 -56.23 6.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -39.36 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 108.358 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -68.86 -77.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.6 15.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.758 HD23 ' CE2' ' A' ' 39' ' ' PHE . 14.4 tp -77.84 -75.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.758 ' CE2' HD23 ' A' ' 38' ' ' LEU . 7.5 m-85 -93.09 31.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -49.27 -58.92 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.666 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 41' ' ' THR . 9.2 t -87.72 71.53 9.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mt -149.3 141.59 15.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.221 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 112.56 3.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.561 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.66 0.59 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' CA ' HG22 ' A' ' 42' ' ' ILE . . . -57.3 -63.11 5.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -61.14 -26.79 67.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.49 -44.37 78.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.24 -34.33 65.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' O ' HG13 ' A' ' 53' ' ' VAL . 73.6 m -51.07 -46.03 61.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.215 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -76.49 -25.11 53.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -89.67 14.08 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 20.3 t80 -117.41 -42.74 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.8 m -78.81 53.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 51.9 t30 175.43 40.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.1 t 177.62 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -111.95 -1.19 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.713 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -99.11 -23.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -77.24 -44.45 2.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.625 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.99 -51.19 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 13' ' ' VAL . 15.7 mt -48.26 -47.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.191 HG23 ' CE2' ' A' ' 16' ' ' TYR . 77.1 mt -67.84 -23.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.716 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.54 -17.26 62.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.568 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.982 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.07 -51.09 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD11 HG12 ' A' ' 13' ' ' VAL . 2.5 mt -65.29 -40.0 93.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 65' ' ' GLU . 1.3 pp20? -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.78 -55.4 9.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.09 43.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.568 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.4 m -123.17 140.34 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -67.88 163.41 50.19 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.613 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -74.99 -11.64 21.49 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -2.2 29.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.519 ' HB3' HG23 ' A' ' 68' ' ' THR . 7.0 t0 -102.98 -37.13 7.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 69' ' ' ALA . 4.0 t -51.99 -55.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -78.14 66.23 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -164.83 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.624 ' N ' HG22 ' A' ' 75' ' ' THR . 1.7 mttm -82.82 -17.61 43.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.982 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.0 mm? -83.07 -5.84 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.91 28.87 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 11.7 pt-20 -122.17 53.68 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER 166.66 156.09 0.11 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.255 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.6 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.739 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.0 m 93.82 -154.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 159.42 -65.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.678 HD12 ' HG3' ' A' ' 8' ' ' MET . 0.1 OUTLIER -65.16 -23.21 67.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.225 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -34.67 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.69 -67.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -57.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.678 ' HG3' HD12 ' A' ' 4' ' ' LEU . 21.9 mtt -51.24 -38.96 55.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -66.35 -37.13 84.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 3.8 mt-10 -74.36 -4.75 38.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.2 tp -93.06 -48.33 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.894 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.5 m -64.09 -44.82 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.135 HG12 HD11 ' A' ' 64' ' ' LEU . 34.4 m -64.11 -58.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.588 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.5 ttpt -43.98 -32.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' SER . 56.1 mmtt -81.27 -39.92 24.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.979 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -72.24 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' VAL . 30.7 mm-40 -46.28 -38.3 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.49 50.17 0.8 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -104.14 -43.46 5.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 0.802 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 66.03 10.35 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -119.6 -10.61 9.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mptt 42.51 42.47 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -121.78 115.69 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.388 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.36 -3.24 25.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 m120 -88.93 -46.35 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -83.29 -7.04 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.579 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 60.3 mt -90.56 -53.25 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.5 ptpp? -64.2 -33.0 74.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.0 mtpp -69.25 -51.68 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -49.01 -49.11 42.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 11' ' ' LEU . 2.0 t80 -47.46 -55.05 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 8.5 t0 -55.84 -21.16 18.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.35 -56.55 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.722 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.6 tp10 -83.53 16.45 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 6.5 t -117.4 -42.35 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.512 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.1 OUTLIER -63.29 -57.06 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -68.72 -33.43 73.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -59.8 -56.51 20.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE2' HD21 ' A' ' 4' ' ' LEU . 4.4 m-30 -122.92 57.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 2.7 t60 -68.08 -59.73 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' ILE . 5.2 t -52.62 -41.86 64.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.684 HG23 ' HD2' ' A' ' 43' ' ' PRO . 2.4 mm -38.29 141.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.684 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.92 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 11.6 p90 -107.51 30.92 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.662 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -87.56 -75.63 1.28 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 36' ' ' LYS . 47.8 p -57.42 -34.71 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -60.33 -49.24 78.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -69.83 -37.35 76.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 76.5 m -49.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.24 -27.66 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -87.77 9.52 21.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.637 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 23.8 t80 -114.57 -48.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.595 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 12.1 m -55.94 -22.41 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -134.36 58.29 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -172.51 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.3 mptt -124.63 15.48 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.59 -46.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -51.45 -44.88 90.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.5 Cg_endo -74.89 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.894 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.5 mt -45.64 -58.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.979 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.28 -22.84 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.22 -52.84 52.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.922 ' OE1' HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.19 -49.91 68.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.135 HD11 HG12 ' A' ' 13' ' ' VAL . 39.1 mt -59.82 -40.57 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.7 -56.48 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.91 -45.55 86.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.84 44.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.688 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.0 m -111.41 138.12 48.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -57.02 161.95 4.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.449 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.1 Cg_endo -74.97 -12.03 21.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -99.92 -20.82 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HB3' HG23 ' A' ' 68' ' ' THR . 1.4 m-20 -79.37 -28.89 41.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -66.97 -48.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 62.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -179.58 -51.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.612 ' C ' HD23 ' A' ' 77' ' ' LEU . 6.3 mttm -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.922 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.18 34.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.484 ' ND2' HH21 ' A' ' 1' ' ' ARG . 9.8 m-20 41.49 33.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.402 ' OE2' HG13 ' A' ' 60' ' ' ILE . 1.1 mt-10 -80.24 6.11 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.451 ' SG ' ' HD2' ' A' ' 81' ' ' PRO . 11.6 t -163.76 137.31 4.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 108.363 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HD2' ' SG ' ' A' ' 80' ' ' CYS . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 5' ' ' SER . 3.1 tmt_? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.588 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 75.6 p -167.19 43.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.951 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 169.95 -64.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.93 -21.62 61.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 1' ' ' ARG . 0.3 OUTLIER -70.23 -36.23 74.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.54 ' CB ' ' HA ' ' A' ' 80' ' ' CYS . 43.4 t -59.64 -58.13 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.27 -50.56 15.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.585 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 64.3 mtt -47.19 -38.72 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.611 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -59.28 -35.65 74.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 108.257 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 mt-10 -78.52 -6.96 56.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.936 HD23 ' CD2' ' A' ' 31' ' ' PHE . 67.8 tp -89.4 -48.59 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.614 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.8 m -63.63 -51.65 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.035 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -58.0 -58.29 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.602 ' N ' HG23 ' A' ' 13' ' ' VAL . 6.4 ttpt -44.33 -32.45 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 13.4 mmtt -78.66 -41.72 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.953 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.59 -66.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.996 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.5 mm-40 -40.48 -41.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.27 42.8 1.8 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.711 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.1 p -72.69 -51.11 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 85.27 -13.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -115.65 -28.83 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 66.07 62.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.663 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -144.06 115.59 8.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -10.76 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 2.2 m-20 -80.12 -42.29 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -83.43 -7.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.575 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.0 mt -91.76 -65.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.625 ' HB3' HG11 ' A' ' 57' ' ' VAL . 6.1 ptmt -49.89 -40.2 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 13.2 mtpp -69.43 -56.39 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.778 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.8 m-20 -42.43 -53.59 4.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.936 ' CD2' HD23 ' A' ' 11' ' ' LEU . 12.0 t80 -43.03 -63.41 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 12.0 t70 -44.73 -34.88 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -60.05 -57.46 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.6 tp10 -88.07 27.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.639 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.4 t -120.85 -56.42 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 5.5 mttt -65.74 -37.22 85.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -76.01 -42.55 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -70.29 -58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.705 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 54.6 m-85 -87.24 24.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -58.11 -18.36 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.691 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' ILE . 22.7 p -89.27 -56.42 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' THR . 3.9 mm -28.94 139.88 0.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.548 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.07 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.2 m-85 75.67 -2.52 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.47 -42.34 9.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' CD ' ' A' ' 36' ' ' LYS . 70.6 p -51.73 -47.18 64.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -52.57 -38.61 60.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -72.59 -35.52 67.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.66 -58.06 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.4 -28.22 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.18 -0.68 41.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 7.9 t80 -101.99 -29.62 11.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.2 m -90.31 34.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -179.22 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.55 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.9 mmtp -117.03 -5.47 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.625 HG11 ' HB3' ' A' ' 28' ' ' LYS . 1.7 t -97.39 -47.76 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -51.87 -43.73 89.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.0 Cg_endo -75.05 -56.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.614 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.3 mt -45.4 -58.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.953 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.7 mt -59.61 -22.33 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.627 ' CE1' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -65.13 -30.53 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.787 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -83.47 -57.86 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.035 ' CD1' HG12 ' A' ' 13' ' ' VAL . 4.7 mt -51.3 -46.47 62.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -61.56 -37.97 85.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.31 -27.15 72.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.3 -2.06 6.64 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 72' ' ' ASP . 3.0 m -70.51 158.17 36.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.907 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.08 163.87 41.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.705 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.97 -0.91 10.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -110.85 -8.21 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HB2' HG23 ' A' ' 68' ' ' THR . 64.3 m-20 -99.52 -33.98 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 69' ' ' ALA . 17.3 t -59.4 -52.79 56.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.0 70.52 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 175.03 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -75.32 -46.45 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' CD1' ' OE1' ' A' ' 63' ' ' GLU . 10.6 mt -87.18 17.45 4.29 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 49.55 39.68 17.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.726 ' OE2' HG12 ' A' ' 73' ' ' VAL . 12.3 pt-20 -113.03 65.95 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.54 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER 179.45 63.05 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 80' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t 65.33 102.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.955 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.83 -153.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.825 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -67.33 -9.73 44.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -44.93 -33.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 9' ' ' CYS . 4.6 t -57.38 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.7 mt-30 -39.63 -53.05 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.625 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 30.8 mtt -45.29 -36.31 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.655 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -62.75 -41.34 99.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 108.237 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.569 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.8 mt-10 -69.64 -6.32 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 34' ' ' GLU . 24.0 tp -94.06 -39.79 10.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.505 HG11 ' CG2' ' A' ' 57' ' ' VAL . 7.0 m -74.49 -43.17 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.969 HG12 HD11 ' A' ' 64' ' ' LEU . 34.2 m -65.58 -60.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.628 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.45 -32.13 2.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 19' ' ' SER . 33.7 mmtt -80.7 -34.86 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.136 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.17 -69.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 13' ' ' VAL . 1.2 pp20? -60.5 -16.9 41.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.27 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 30.51 5.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.698 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -82.65 -54.39 5.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.46 -6.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 7.0 p-10 -109.82 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 5.1 mmtt 58.74 65.28 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.611 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -149.17 109.39 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -60.75 -12.62 11.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.14 -55.75 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -72.42 -4.97 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 65.8 mt -88.67 -67.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.684 ' HB3' HG11 ' A' ' 57' ' ' VAL . 8.5 ptmt -51.46 -37.64 49.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -66.93 -48.2 69.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.767 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -49.64 -53.35 24.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.704 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.7 t80 -43.55 -58.05 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.29 -28.8 3.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.32 -61.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.654 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.6 tp10 -83.45 25.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 13.6 t -123.64 -47.66 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 108.343 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -63.87 -38.29 90.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.71 -36.45 21.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.504 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.3 tp -65.91 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD2' ' SG ' ' A' ' 35' ' ' CYS . 14.5 m-85 -88.99 27.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -55.33 -51.38 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.616 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 43.1 p -55.17 -46.76 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.727 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.7 mt -43.78 142.94 1.8 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -106.69 32.83 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.609 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -85.45 -55.1 2.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.7 p -59.72 -41.96 92.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.761 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -60.16 -42.67 95.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.19 -28.73 62.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -55.05 -66.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.18 -26.48 60.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.2 0.29 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 37.6 t80 -112.42 -49.33 2.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.704 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.8 m -52.93 -21.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.54 70.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.6 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.526 1.142 . . . . 0.0 109.975 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 7.7 mmtt -127.91 3.73 5.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 28' ' ' LYS . 2.1 t -97.11 -43.67 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -54.6 -44.19 98.86 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.5 Cg_endo -75.03 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 56' ' ' LYS . 21.3 mt -45.79 -54.08 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.136 HG23 ' CE2' ' A' ' 16' ' ' TYR . 13.8 mt -61.6 -23.82 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.218 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.617 ' CE1' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -64.24 -46.84 82.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.776 ' HG2' HD21 ' A' ' 77' ' ' LEU . 1.2 tp10 -60.48 -52.36 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.301 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.969 HD11 HG12 ' A' ' 13' ' ' VAL . 6.0 mt -57.56 -35.69 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.438 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 4.8 mt-10 -64.76 -25.02 67.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.06 -24.32 45.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.4 2.42 7.57 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.67 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.8 m -70.76 141.3 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.893 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -68.52 163.37 54.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 -21.02 16.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -96.48 3.19 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.585 ' HB3' HG23 ' A' ' 68' ' ' THR . 7.5 t0 -105.9 -32.0 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 69' ' ' ALA . 4.1 t -63.38 -42.74 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 80' ' ' CYS . 0.2 OUTLIER -80.81 66.75 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.542 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER 174.38 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.542 ' N ' HG22 ' A' ' 75' ' ' THR . 0.9 OUTLIER -59.56 -36.29 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 73' ' ' VAL . 4.0 mm? -70.52 -6.33 35.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.36 29.49 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.384 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -93.95 -86.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 7.9 t -63.1 139.43 97.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.405 1.739 . . . . 0.0 110.964 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.701 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.6 OUTLIER -117.91 25.7 10.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 162.3 -50.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.741 HD12 ' CE1' ' A' ' 39' ' ' PHE . 3.5 mm? -43.79 -56.59 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.481 ' HB3' ' CD ' ' A' ' 81' ' ' PRO . 2.7 t -37.95 -37.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.967 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -54.68 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' GLU . 9.4 tp60 -45.74 -51.18 12.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.642 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 31.9 mtt -46.08 -46.17 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.521 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -57.82 -32.15 67.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 108.243 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 18.6 mt-10 -82.43 -3.23 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.908 HD23 ' CE2' ' A' ' 31' ' ' PHE . 61.5 tp -93.46 -44.27 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' A' ' 60' ' ' ILE . 24.5 m -65.94 -37.55 80.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.22 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.027 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -67.68 -58.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.626 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -46.92 -31.81 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.527 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.8 mmtt -81.56 -40.41 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.925 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.01 -68.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' VAL . 50.1 mm-40 -43.73 -42.9 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.26 46.86 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.706 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -81.14 -49.66 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 58.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 162.83 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.71 62.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.361 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.61 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -135.07 102.67 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -52.03 -18.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 23' ' ' ASP . 78.0 m-20 -72.58 -54.67 8.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -72.44 -6.96 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 93.0 mt -90.75 -73.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HB3' HG11 ' A' ' 57' ' ' VAL . 9.0 ptmt -42.18 -39.64 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 10.2 mtpp -69.99 -45.73 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.185 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.716 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.3 m-20 -52.47 -49.68 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.908 ' CE2' HD23 ' A' ' 11' ' ' LEU . 1.9 t80 -48.45 -50.15 32.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.61 -25.17 37.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.47 -74.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.848 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.3 tp10 -50.11 -28.08 6.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 39' ' ' PHE . 4.1 t -73.97 -37.66 64.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.26 -0.78 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -115.77 -49.81 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.38 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -80.14 -48.64 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.741 ' CE1' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.53 7.09 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -52.9 63.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.659 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -54.94 -18.98 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.513 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 11.6 mm -79.24 140.96 57.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.03 -66.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.508 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -85.81 5.88 30.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' CA ' ' CD2' ' A' ' 39' ' ' PHE . . . -59.54 -76.41 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 46' ' ' THR . 75.8 p -38.49 -34.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.751 . . . . 0.0 110.415 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -65.61 -50.45 65.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -68.79 -26.09 65.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.1 m -53.5 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.276 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.79 -24.63 36.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -83.05 0.9 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.634 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 18.2 t80 -113.21 -48.93 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.764 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.6 m -54.52 -18.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 55' ' ' SER . 6.9 m-20 -136.77 72.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 165.81 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 13.2 mttp -132.41 9.5 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -97.81 -49.56 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -49.69 -43.56 73.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.703 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -56.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.796 HG21 HG21 ' A' ' 12' ' ' VAL . 10.0 mt -45.87 -59.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.925 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -58.67 -20.52 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.384 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.703 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.56 -29.06 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.713 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -82.65 -58.97 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.027 ' CD1' HG12 ' A' ' 13' ' ' VAL . 6.2 mt -50.98 -44.68 60.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.58 -31.91 73.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.53 64.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.34 -14.79 1.86 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.456 ' OG1' ' OE2' ' A' ' 63' ' ' GLU . 1.9 m -61.67 154.48 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.948 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -80.12 169.38 20.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.942 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.98 -15.26 20.88 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 14.45 23.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 81.3 m-20 -124.77 -0.38 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 69' ' ' ALA . 41.1 t -89.31 -38.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 79' ' ' GLU . 1.7 m -71.06 -6.54 39.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -114.65 -19.67 11.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.476 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.758 ' HG3' HD23 ' A' ' 77' ' ' LEU . 6.1 tptt -67.51 -70.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.758 HD23 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -86.33 32.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 37.62 31.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 8.3 mm-40 -51.37 -68.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.22 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.2 t -51.14 106.93 0.71 Allowed Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.481 ' CD ' ' HB3' ' A' ' 5' ' ' SER . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.421 1.748 . . . . 0.0 111.029 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 80' ' ' CYS . 9.1 t -74.63 85.03 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.44 -64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 39' ' ' PHE . 1.9 mm? -100.02 -60.44 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -35.02 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.573 ' CB ' ' HA ' ' A' ' 80' ' ' CYS . 37.2 t -68.95 -76.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -39.49 -51.9 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.593 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 54.2 mtt -47.14 -40.57 15.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 1.168 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.66 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -58.99 -33.42 70.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 13' ' ' VAL . 31.5 tt0 -79.94 -6.07 56.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 31' ' ' PHE . 53.2 tp -91.19 -44.27 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 57' ' ' VAL . 16.5 m -68.01 -50.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -60.9 -59.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.606 ' N ' HG23 ' A' ' 13' ' ' VAL . 11.9 ttpt -44.67 -34.31 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' SER . 32.3 mmtt -77.13 -41.05 43.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.976 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.56 -71.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.7 mm-40 -36.91 -41.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.13 52.94 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.602 1.189 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.673 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -92.27 -45.9 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.23 -7.94 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -114.34 -22.15 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 2.4 mppt? 52.26 66.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.587 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -148.03 116.59 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -8.6 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.5 m-20 -82.87 -49.43 9.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -79.37 -10.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.693 HG21 ' HB2' ' A' ' 16' ' ' TYR . 62.9 mt -89.8 -74.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.0 ptmt -39.32 -44.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 14.0 mtpp -65.1 -52.47 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.8 m-20 -45.25 -55.28 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.77 ' O ' HD21 ' A' ' 11' ' ' LEU . 3.6 t80 -41.75 -52.1 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -51.8 -46.82 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.21 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.741 ' CB ' HD11 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -45.45 -44.59 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.618 ' SG ' ' CD2' ' A' ' 11' ' ' LEU . 24.9 m -55.81 -42.76 76.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.8 mtpt -74.71 -0.18 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.89 -47.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -100.17 -48.55 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE1' HD12 ' A' ' 4' ' ' LEU . 14.8 m-85 -85.94 14.34 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -64.25 -58.95 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.598 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.582 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 81.3 p -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -72.36 138.84 81.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.12 -74.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.55 -19.94 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.39 -47.2 63.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.411 1.069 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.1 p -73.09 -39.56 65.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -63.75 -45.15 91.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -39.53 69.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.491 ' SG ' ' HE1' ' A' ' 8' ' ' MET . 1.3 m -59.33 -44.86 92.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 108.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.46 -22.91 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.72 6.45 48.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 21.4 t80 -104.2 -36.66 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -82.36 51.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 55' ' ' SER . 10.7 t30 179.56 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.1 m 163.62 -28.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.53 ' O ' HD12 ' A' ' 60' ' ' ILE . 14.1 mmtt -118.99 -1.2 11.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.688 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.5 -43.48 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -57.75 -43.64 98.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.673 ' HA ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -75.0 -50.89 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.571 HG21 ' CG2' ' A' ' 12' ' ' VAL . 13.2 mt -49.16 -45.38 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.976 HG23 ' CE2' ' A' ' 16' ' ' TYR . 62.9 mt -73.08 -18.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.673 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -70.49 -27.87 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.728 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.54 -52.25 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.002 HD11 HG12 ' A' ' 13' ' ' VAL . 4.8 mt -60.09 -40.93 91.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 1.8 pp20? -70.68 -25.37 62.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.22 -38.05 30.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.4 -16.87 1.67 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.531 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 2.7 m -63.98 155.59 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.915 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -85.52 168.58 19.32 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.806 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -74.91 -17.99 19.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 10.26 41.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -115.71 -38.04 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.1 t -56.17 -47.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.88 57.5 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -156.74 -58.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 0.0 110.451 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.583 ' N ' HG22 ' A' ' 75' ' ' THR . 4.0 mttt -79.56 -38.4 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CB ' ' OE2' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -67.17 -7.12 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.89 35.17 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 12.6 pt-20 -120.51 69.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.573 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 171.33 -55.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 108.3 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -137.43 122.51 19.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.5 -153.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.975 HD23 ' N ' ' A' ' 5' ' ' SER . 0.3 OUTLIER -56.55 -19.34 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.975 ' N ' HD23 ' A' ' 4' ' ' LEU . 8.4 t -46.08 -41.76 12.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.061 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.75 -63.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.39 -47.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 39.8 mtt -51.4 -42.25 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.651 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -59.65 -31.44 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -80.11 -8.48 59.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.913 HD23 ' CD2' ' A' ' 31' ' ' PHE . 56.3 tp -90.64 -42.54 10.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.738 HG11 HG23 ' A' ' 57' ' ' VAL . 11.0 m -68.48 -48.37 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.785 HG12 HD11 ' A' ' 64' ' ' LEU . 29.9 m -60.82 -58.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' N ' HG23 ' A' ' 13' ' ' VAL . 8.3 tttp -43.73 -32.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -81.51 -40.54 23.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.047 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.47 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.813 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.7 mm-40 -46.73 -38.47 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.54 37.17 3.95 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.654 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.5 t -87.73 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.18 -1.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 14.2 p-10 -111.73 -15.9 13.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 3.3 mmmt 51.23 56.65 7.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.578 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -140.18 113.12 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -5.19 24.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 4.6 t-20 -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.578 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.09 -11.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.615 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.7 mt -85.8 -74.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.0 ptpp? -41.99 -36.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 15.7 mtpp -67.54 -47.57 69.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.771 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.71 -47.52 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.913 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.5 t80 -45.79 -54.8 7.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -57.92 -23.88 55.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.4 -73.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.225 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.794 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.5 tp10 -52.93 -29.61 29.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -67.12 -54.79 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 4.4 mmmm -50.42 -17.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 19.7 mtpp -102.11 -68.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -54.06 -52.17 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' CYS . 35.1 m-85 -88.62 36.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.718 ' C ' HG22 ' A' ' 41' ' ' THR . 2.8 t-160 -91.59 70.74 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.718 HG22 ' C ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER 164.53 -40.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.73 HG23 ' HD2' ' A' ' 43' ' ' PRO . 33.5 mm -40.12 142.96 0.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.93 26.23 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.535 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER 162.29 39.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.1 -62.6 1.0 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 39' ' ' PHE . 31.2 p -61.8 -30.17 70.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -72.14 -67.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -26.97 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 2.0 m -61.85 -55.08 33.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -57.5 -17.46 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.03 5.23 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 27.2 t80 -104.14 -51.94 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.555 HG12 ' CD1' ' A' ' 31' ' ' PHE . 10.4 m -49.48 -35.72 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.407 ' C ' ' OG ' ' A' ' 55' ' ' SER . 10.7 m120 -105.29 31.67 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.677 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -174.78 98.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.538 1.149 . . . . 0.0 110.024 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.677 ' CB ' ' O ' ' A' ' 55' ' ' SER . 13.8 mmtt 102.88 0.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.738 HG23 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -98.31 -22.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.661 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 t0 -78.31 -42.17 2.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.1 Cg_endo -75.07 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.587 1.835 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.613 HG23 HG11 ' A' ' 73' ' ' VAL . 53.9 mt -46.45 -48.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.047 HG23 ' CE2' ' A' ' 16' ' ' TYR . 81.8 mt -66.21 -27.33 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.694 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.17 -14.41 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.599 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 1.057 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -82.94 -50.43 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.395 1.06 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.953 HD23 ' O ' ' A' ' 68' ' ' THR . 0.9 OUTLIER -70.87 -27.45 63.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 1.6 mt-10 -68.1 -38.27 82.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.82 -51.92 6.76 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.67 42.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.953 ' O ' HD23 ' A' ' 64' ' ' LEU . 25.1 m -120.27 119.1 32.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.595 0.82 . . . . 0.0 110.383 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -51.86 163.79 0.62 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.758 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.03 -19.11 18.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 10.6 37.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.75 -38.29 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.73 HG22 ' HB3' ' A' ' 63' ' ' GLU . 11.0 t -51.62 -53.37 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.503 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.7 m -75.66 73.51 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER 179.23 -63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.524 ' N ' HG22 ' A' ' 75' ' ' THR . 6.5 tttp -73.53 -28.0 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.057 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -72.93 -2.15 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.93 23.93 14.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' CG ' ' HA ' ' A' ' 74' ' ' CYS . 5.4 pt-20 -99.49 -6.51 27.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 74' ' ' CYS . 6.9 t -147.04 135.37 10.88 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 108.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 110.98 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.2 t -123.16 23.03 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.094 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . -179.33 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 8' ' ' MET . 1.6 mp -38.15 -48.53 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -48.66 -64.53 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 7' ' ' GLN . 13.2 m -61.04 -68.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 6' ' ' CYS . 3.3 mm-40 -33.04 -63.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 33.7 mtt -45.42 -47.05 13.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.693 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.5 t -60.6 -33.04 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.8 mt-10 -80.55 -4.95 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 31' ' ' PHE . 38.4 tp -92.66 -40.16 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.84 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.9 m -72.96 -49.64 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.042 HG12 HD11 ' A' ' 64' ' ' LEU . 34.8 m -61.48 -58.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.1 ttpp -44.89 -33.89 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 48.6 mmtt -77.94 -40.11 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.002 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.68 -67.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 mm-40 -39.69 -40.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.13 48.91 0.9 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.4 p -80.46 -54.75 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.75 -7.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -116.93 -9.2 11.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt 43.25 70.52 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.662 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -154.19 109.15 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -61.48 -12.83 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 5.6 t-20 -78.94 -40.0 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.662 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -85.87 -4.62 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.772 HG21 ' HB2' ' A' ' 16' ' ' TYR . 71.4 mt -94.04 -50.63 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.771 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.2 ptmt -67.6 -30.76 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.4 mtpp -75.05 -49.4 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -52.75 -50.46 63.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.829 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -52.74 -38.0 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.47 -30.23 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.73 -72.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.1 tp10 -48.18 -40.66 24.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 52.8 t -59.38 -55.71 31.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 31.8 mttt -59.25 -5.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -100.76 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -61.43 -48.64 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.577 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 18.4 m-85 -85.64 34.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 36' ' ' LYS . 30.4 t60 -89.4 -36.96 15.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.629 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.3 p -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.375 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -62.68 140.1 97.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.597 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 43' ' ' PRO . 6.2 m-85 -155.56 19.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.438 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -67.17 -58.78 7.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.401 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 73.7 p -55.07 -34.18 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -65.57 -49.18 69.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.75 -25.24 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' O ' HG13 ' A' ' 53' ' ' VAL . 88.7 m -53.55 -55.82 22.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.83 2.23 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.533 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.734 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 t80 -115.05 -42.71 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -81.45 48.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' SER . 64.6 t30 175.24 47.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.4 m 158.93 -23.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.067 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -119.34 -7.82 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.771 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -97.79 -48.61 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.638 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.48 -44.16 88.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.714 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.88 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.84 HG21 ' CG2' ' A' ' 12' ' ' VAL . 10.7 mt -43.57 -56.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.002 HG23 ' CE2' ' A' ' 16' ' ' TYR . 2.4 mt -58.8 -24.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.714 ' CG ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -62.99 -28.89 70.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.615 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.755 ' OE2' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -77.27 -50.85 11.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.042 HD11 HG12 ' A' ' 13' ' ' VAL . 22.4 mt -58.94 -37.48 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.65 -28.27 65.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.28 -40.61 19.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.16 -13.14 2.33 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.755 HG21 ' OE2' ' A' ' 63' ' ' GLU . 5.1 m -61.66 142.67 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.397 0.704 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.864 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -71.43 168.05 24.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.01 -21.72 15.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -96.66 10.24 39.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 68' ' ' THR . 4.1 m-20 -114.4 -35.07 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.2 t -58.55 -41.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 1.8 m -74.61 62.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.48 -59.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -67.98 -23.53 65.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.493 HD11 ' NE2' ' A' ' 62' ' ' HIS . 4.4 mm? -86.16 12.28 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m120 49.71 29.56 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.53 ' OE1' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -82.72 -64.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 74' ' ' CYS . 10.2 m -47.79 160.87 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.419 ' CD ' ' SG ' ' A' ' 6' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.81 81.24 1.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.79 -141.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.63 -19.13 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -48.83 -50.31 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 80' ' ' CYS . 1.3 t -48.31 -51.98 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tp60 -50.59 -52.94 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 55.5 mtt -49.26 -39.18 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.785 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -60.09 -31.9 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' HG22 ' A' ' 13' ' ' VAL . 3.2 mt-10 -80.24 -6.71 58.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.019 HD23 ' CD2' ' A' ' 31' ' ' PHE . 34.9 tp -93.25 -37.86 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.712 ' CG2' HG21 ' A' ' 60' ' ' ILE . 9.4 m -73.72 -33.86 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 HD11 ' A' ' 64' ' ' LEU . 23.3 m -70.63 -58.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.622 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -48.81 -33.34 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.359 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.2 mmtt -78.06 -40.49 38.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.177 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.54 -71.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.7 mm-40 -37.33 -41.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.246 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.68 54.0 0.59 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -91.03 -49.86 6.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 0.749 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 -10.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -115.64 -12.01 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt 44.92 63.56 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.457 ' OD2' HG23 ' A' ' 26' ' ' VAL . 28.4 t0 -138.76 110.06 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -14.14 14.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 25.7 m-20 -79.71 -59.33 2.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG23 ' OD2' ' A' ' 23' ' ' ASP . 2.0 t -69.76 -7.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.767 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.6 mt -91.18 -59.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.686 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.9 ptpp? -50.96 -40.37 57.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 13.9 mtpp -68.56 -49.85 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.7 m-20 -45.25 -49.86 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.019 ' CD2' HD23 ' A' ' 11' ' ' LEU . 9.5 t80 -46.85 -63.31 1.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 27.8 t0 -44.79 -40.39 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -48.88 -62.92 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.99 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -82.04 14.71 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 1.3 t -100.09 -63.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.085 . . . . 0.0 108.327 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HA ' HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -59.88 -29.8 68.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -79.81 -54.56 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.586 HD23 ' C ' ' A' ' 38' ' ' LEU . 2.5 tt -60.48 -57.42 12.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HD1' HD12 ' A' ' 42' ' ' ILE . 25.9 m-85 -88.14 30.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.479 ' CG ' HG23 ' A' ' 41' ' ' THR . 4.3 p-80 -57.71 -18.62 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.479 HG23 ' CG ' ' A' ' 40' ' ' HIS . 72.4 p -127.78 72.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.394 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.5 mt -149.48 142.2 15.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.11 106.96 2.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 77.15 -3.86 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.95 -59.86 7.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 36' ' ' LYS . 68.8 p -59.62 -34.55 72.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -63.4 -45.27 91.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -69.48 -32.7 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 83.2 m -48.9 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.76 -29.59 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.17 9.9 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 14.6 t80 -114.88 -40.39 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 m -83.49 52.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t30 173.13 43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.68 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -116.31 -3.97 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.686 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.2 t -98.11 -20.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.07 -45.28 2.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HA ' ' ND1' ' A' ' 62' ' ' HIS . 18.5 Cg_endo -74.96 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.712 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.2 mt -47.51 -49.22 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.177 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.9 mt -65.94 -25.8 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.731 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -73.12 -18.43 61.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.578 ' CB ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -81.86 -56.96 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.289 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.943 HD11 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -63.65 -47.73 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 62' ' ' HIS . 0.9 OUTLIER -60.74 -27.89 68.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.41 -42.22 23.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.84 -20.35 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 3.5 m -59.35 165.65 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.678 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -98.24 165.42 15.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.836 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -75.01 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 6.07 9.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -114.86 -15.26 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 69' ' ' ALA . 1.9 t -69.51 -48.23 67.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -85.28 51.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.82 -60.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -30.7 70.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -88.81 15.76 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.7 22.31 1.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.533 ' OE1' HD11 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -89.08 41.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 3.7 t 179.03 135.66 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 108.267 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.544 1.813 . . . . 0.0 110.987 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.712 ' N ' HD13 ' A' ' 4' ' ' LEU . 4.4 p -44.97 -49.17 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLN . 34.8 m -58.13 -55.6 32.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -34.93 -59.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.569 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 9.3 mtt -46.19 -48.97 17.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.737 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -55.56 -31.94 62.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.51 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 tt0 -83.75 -4.52 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.67 HD11 ' CD ' ' A' ' 34' ' ' GLU . 41.2 tp -92.43 -41.51 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.647 HG13 ' CD2' ' A' ' 31' ' ' PHE . 16.5 m -71.62 -49.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.956 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.7 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.584 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.6 ttpp -44.95 -32.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.47 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 63.0 mmtt -82.5 -36.11 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.112 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.24 -67.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 2.8 pp20? -52.92 -29.44 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.44 67.58 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.728 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.7 t -104.51 -94.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.054 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 19' ' ' SER . . . 160.25 -35.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.08 -15.7 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 69.3 32.33 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.1 m-20 -92.92 114.81 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' HD2' ' A' ' 28' ' ' LYS . . . -66.55 -10.16 42.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -85.72 -53.81 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -76.15 -5.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 16' ' ' TYR . 19.7 mt -85.5 -52.49 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HE3' HG11 ' A' ' 57' ' ' VAL . 3.4 ptmt -63.39 -24.37 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -71.99 -48.87 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.874 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.4 m-20 -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.741 ' CD1' HG12 ' A' ' 53' ' ' VAL . 8.6 t80 -55.02 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' N ' ' HD1' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -56.03 -20.9 18.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -55.79 -72.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.67 ' CD ' HD11 ' A' ' 11' ' ' LEU . 1.5 pt-20 -73.21 -39.35 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.571 ' HB2' HD21 ' A' ' 11' ' ' LEU . 4.6 t -46.73 -24.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.552 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.4 OUTLIER -85.18 -60.55 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LEU . 26.6 mtpt -66.09 -63.74 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.653 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -40.12 -46.6 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.3 m-30 -116.94 49.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -77.29 -22.74 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.6 p -110.05 42.77 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.739 HG23 ' HD2' ' A' ' 43' ' ' PRO . 19.7 mm -117.67 143.07 31.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 2.1 t80 76.28 0.04 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -53.95 -65.07 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 36' ' ' LYS . 76.5 p -58.11 -30.8 66.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.456 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' C ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -64.23 -56.31 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.54 -29.78 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -49.14 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 108.309 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -25.07 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -83.78 4.05 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 33.6 t80 -112.76 -45.46 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.741 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.9 m -57.09 -17.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -136.04 69.34 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m 172.61 -34.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 8.9 mmtp -128.53 11.71 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.608 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -97.5 -45.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.653 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.93 -43.91 97.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.683 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.94 -55.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.576 HG21 ' CG2' ' A' ' 12' ' ' VAL . 11.1 mt -46.57 -55.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.112 HG23 ' CE2' ' A' ' 16' ' ' TYR . 9.0 mt -62.44 -21.31 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.683 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.32 -44.74 86.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.987 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -60.22 -60.63 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.956 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.61 -16.87 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.78 -31.7 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.35 -36.52 8.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.77 43.06 0.1 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.552 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.6 m -108.38 149.46 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -81.51 162.27 58.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.0 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.1 -25.22 11.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 69' ' ' ALA . 2.2 t -70.13 -54.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -70.82 67.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.655 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -178.77 -64.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.655 ' N ' HG22 ' A' ' 75' ' ' THR . 0.6 OUTLIER -74.74 -25.59 59.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.987 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -82.42 10.54 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . 70.9 m-20 38.98 33.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' OE1' ' CG1' ' A' ' 60' ' ' ILE . 17.9 pt-20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.792 HD23 ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -40.86 69.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -58.77 -51.21 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.85 -50.55 18.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.606 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 15.0 mtt -47.4 -44.16 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.787 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.4 -29.99 66.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -82.88 -7.21 59.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 31' ' ' PHE . 35.4 tp -89.64 -46.27 8.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.571 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.2 m -64.56 -53.12 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.836 HG12 HD11 ' A' ' 64' ' ' LEU . 27.9 m -58.55 -58.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' H ' HG23 ' A' ' 13' ' ' VAL . 3.1 ttpt -45.52 -30.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' SER . 64.6 mmtt -81.01 -37.67 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.995 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -76.66 -67.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.8 pp20? -47.26 -36.23 8.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 17' ' ' GLU . . . -115.89 48.2 0.96 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.675 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -98.33 -52.65 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.29 -4.93 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 -14.74 14.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 47.32 43.81 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 15.1 t0 -125.36 117.11 23.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.24 -5.89 39.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 9.0 m-80 -88.02 -51.23 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.4 -9.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 31.2 mt -84.51 -67.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 7.3 ptpp? -52.45 -34.97 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 18.2 mtpp -66.28 -43.16 87.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.36 -48.93 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.745 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.1 t80 -45.26 -53.83 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -23.77 63.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.4 -69.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 11' ' ' LEU . 16.6 tp10 -53.55 -28.29 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -46.16 51.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 7.4 mmtp -53.0 -19.97 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -107.03 -43.94 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.505 HD23 ' CE2' ' A' ' 39' ' ' PHE . 7.9 tp -64.46 -64.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.792 ' CE1' HD23 ' A' ' 4' ' ' LEU . 53.0 m-85 -88.71 33.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.592 ' CE1' ' CG2' ' A' ' 41' ' ' THR . 0.0 OUTLIER -67.67 -22.54 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.592 ' CG2' ' CE1' ' A' ' 40' ' ' HIS . 66.2 p -116.38 61.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.763 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.4 mt -146.01 143.65 19.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 106.57 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 77.03 -2.43 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.01 -45.15 51.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -70.95 -31.92 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 110.428 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -65.54 -61.14 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -28.98 28.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.544 ' O ' HG13 ' A' ' 53' ' ' VAL . 2.3 m -61.55 -53.77 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.73 -12.33 33.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -104.91 2.71 30.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 109.565 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.606 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 43.3 t80 -107.79 -43.96 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.745 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.2 m -56.47 -18.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -133.66 54.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.2 m -164.52 -50.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -113.76 11.06 17.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.598 HG21 ' HA ' ' A' ' 53' ' ' VAL . 1.6 t -95.87 -50.44 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.641 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 t0 -47.76 -44.6 57.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.94 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.571 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.8 mt -48.32 -58.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.995 HG23 ' CE2' ' A' ' 16' ' ' TYR . 4.1 mt -58.82 -21.6 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.638 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -63.5 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.955 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -79.32 -56.65 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.898 ' HG ' HG21 ' A' ' 73' ' ' VAL . 72.7 mt -45.07 -42.68 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 37.7 mt-10 -62.94 -39.68 95.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . . . -61.97 -37.31 94.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.58 -8.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.441 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 3.9 m -60.77 161.85 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.895 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -82.87 161.99 56.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.777 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.0 Cg_endo -75.07 -6.77 18.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 3.77 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 75' ' ' THR . 27.0 t70 -112.47 -29.61 7.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.955 HG22 ' HB3' ' A' ' 63' ' ' GLU . 54.7 t -45.62 -93.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.545 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.68 -47.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.716 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -38.01 -70.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.716 ' N ' HG22 ' A' ' 75' ' ' THR . 7.7 ptpt -67.71 -26.29 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -79.47 9.73 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' CYS . 2.3 m120 42.04 28.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 4.7 tm-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' SER . 3.7 mm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 71.1 p -37.1 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -64.59 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -38.61 -52.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 44.5 mtt -50.82 -35.77 34.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.661 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -60.54 -33.65 72.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 108.334 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.561 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.3 tp10 -79.51 -8.5 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.022 HD11 ' HB3' ' A' ' 34' ' ' GLU . 36.7 tp -90.65 -40.17 12.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 11.5 m -73.4 -49.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.918 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -57.92 -58.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.598 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 60.0 mmtt -77.41 -39.53 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.982 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -75.31 -67.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.984 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' VAL . 8.3 mm-40 -39.56 -40.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.12 48.12 0.97 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.167 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.8 p -80.97 -55.8 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.07 -7.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 21' ' ' ASP . 16.0 p-10 -114.96 -11.59 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.7 mmmt 47.52 62.06 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -144.75 120.63 10.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.97 -1.72 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.82 -46.84 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.6 t -78.74 -16.31 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 63.7 mt -77.2 -68.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -51.42 -34.12 33.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -67.79 -64.87 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.755 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 51.6 m-20 -41.98 -49.79 4.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.972 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.2 t80 -42.47 -57.78 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.453 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 7.4 t70 -53.73 -30.05 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.1 -52.85 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.022 ' HB3' HD11 ' A' ' 11' ' ' LEU . 39.6 tp10 -79.2 -7.64 58.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.609 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -77.57 -50.78 11.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 108.355 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 3.2 mtpt -66.28 -27.42 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -81.6 -55.93 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' CE1' ' A' ' 39' ' ' PHE . 6.1 tt -63.11 -57.69 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 35' ' ' CYS . 9.1 m-85 -85.91 30.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.434 ' CE1' HG23 ' A' ' 41' ' ' THR . 1.1 p80 -58.41 -29.87 66.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.612 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.434 HG23 ' CE1' ' A' ' 40' ' ' HIS . 21.7 p -119.69 70.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.733 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.1 mt -147.6 142.94 17.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.733 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 99.7 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 1.3 t80 76.3 0.86 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.38 -59.6 5.16 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.58 1.175 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.414 ' CB ' ' HE3' ' A' ' 36' ' ' LYS . 32.2 p -63.32 -39.98 96.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -36.05 61.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.26 -35.45 48.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -54.99 -41.82 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -38.37 87.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -85.88 12.46 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 44.7 t80 -111.07 -48.77 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 31.7 m -53.49 -19.78 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.42 69.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.58 -33.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 22.6 mttt -129.69 5.27 5.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -95.57 -45.2 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.639 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -50.59 -44.84 84.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -75.0 -56.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 9' ' ' CYS . 26.5 mt -45.32 -57.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.982 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -59.08 -23.19 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.603 ' CE1' ' CD ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -64.62 -46.04 84.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.636 ' HB3' HG22 ' A' ' 73' ' ' VAL . 1.7 mp0 -60.42 -51.26 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.918 HD11 HG12 ' A' ' 13' ' ' VAL . 24.3 mt -59.86 -37.61 79.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.5 -50.01 75.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.16 96.68 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.82 43.14 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.807 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.7 m -113.74 131.09 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -56.46 162.53 3.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.95 -15.64 20.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.07 3.58 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -107.55 -32.24 7.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 69' ' ' ALA . 2.3 t -68.64 -46.99 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.9 m -79.58 67.4 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -176.98 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 75' ' ' THR . 1.2 mttt -75.58 -26.53 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -85.37 10.85 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.242 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.78 34.04 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' CG ' ' HA ' ' A' ' 74' ' ' CYS . 18.4 pt-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.643 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' CYS . 7.2 t -52.2 -65.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' GLU . 8.6 tp60 -43.05 -55.23 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.595 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 14.6 mtt -49.83 -27.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -66.66 -33.29 75.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 22.1 tt0 -79.23 -8.74 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.959 HD23 ' CE2' ' A' ' 31' ' ' PHE . 65.0 tp -89.52 -43.96 10.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.719 HG11 HG23 ' A' ' 57' ' ' VAL . 17.9 m -67.29 -51.84 48.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.781 HG12 HD11 ' A' ' 64' ' ' LEU . 33.9 m -59.13 -57.4 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -46.05 -31.1 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 27.6 mmtt -82.34 -37.68 25.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.02 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -73.13 -66.29 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' A' ' 64' ' ' LEU . 12.3 mm-40 -45.2 -42.75 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.17 51.48 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.721 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -88.74 -48.92 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 87.1 58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER 162.12 -26.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 66.07 48.09 1.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.441 ' HB2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -113.18 111.37 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -7.4 18.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -56.1 3.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 23' ' ' ASP . 1.9 t -73.69 -7.07 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.597 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 47.1 mt -86.76 -76.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 27' ' ' ILE . 5.1 ptpp? -42.15 -38.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -64.97 -46.78 80.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.615 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -50.75 -52.13 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.959 ' CE2' HD23 ' A' ' 11' ' ' LEU . 3.4 t80 -44.31 -52.14 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.11 -31.79 70.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.91 -69.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.598 1.186 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.582 ' HB3' HD11 ' A' ' 11' ' ' LEU . 6.1 tp10 -47.34 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.76 ' HA ' HD23 ' A' ' 38' ' ' LEU . 49.0 t -45.38 -56.61 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 4.2 mmtp -39.62 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -99.18 -54.88 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -48.63 -44.4 37.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CD2' HD12 ' A' ' 42' ' ' ILE . 4.5 m-30 -116.85 46.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.702 ' CE1' HG23 ' A' ' 41' ' ' THR . 26.9 p-80 -67.3 -34.25 76.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.702 HG23 ' CE1' ' A' ' 40' ' ' HIS . 32.3 p -77.74 -44.92 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.784 HD12 ' CD2' ' A' ' 39' ' ' PHE . 3.5 mt -49.64 142.41 12.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.08 -94.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 17.1 p90 -50.61 -26.05 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.555 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -35.07 -61.92 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.6 p -59.04 -38.67 79.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.373 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 8.3 mtt180 -64.57 -58.93 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.44 -39.34 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.571 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -63.23 -42.47 99.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -5.29 36.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 1.85 15.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 66.8 t80 -101.82 -40.63 6.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.747 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -56.68 -17.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.04 64.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -175.05 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.479 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.5 mttt -128.8 10.06 5.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.719 HG23 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -95.07 -47.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.637 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.11 -44.56 80.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -57.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.832 HG23 HG11 ' A' ' 73' ' ' VAL . 23.6 mt -44.61 -59.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.02 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.13 -23.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -68.58 -25.4 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.948 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -76.55 -51.35 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.345 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 68' ' ' THR . 6.5 mt -64.91 -27.91 69.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.74 -48.03 70.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.21 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.899 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.4 m -115.38 135.81 53.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 1.049 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -65.87 170.58 4.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.03 -20.54 16.7 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -7.78 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 68' ' ' THR . 4.3 m-20 -98.01 -37.53 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 69' ' ' ALA . 61.0 t -50.09 -54.32 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.547 ' HA ' ' HG3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.76 54.82 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 108.241 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -145.43 -56.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' N ' HG22 ' A' ' 75' ' ' THR . 11.2 ptmt -82.82 -25.79 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 77' ' ' LEU . 5.2 mt -77.33 1.21 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.7 16.75 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.395 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.547 ' HG3' ' HA ' ' A' ' 74' ' ' CYS . 1.4 pp20? . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.357 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.679 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -51.02 -39.93 57.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.08 -58.88 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.8 mt-30 -50.46 -55.02 17.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.082 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.599 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 8.8 mtt -47.65 -43.46 26.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.623 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 t -58.68 -30.7 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.0 mt-10 -79.46 -8.83 59.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.908 HD23 ' CD2' ' A' ' 31' ' ' PHE . 62.9 tp -91.06 -40.05 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.682 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.0 m -72.73 -46.95 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.94 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -61.81 -59.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.1 tttp -45.11 -32.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 42.8 mmtt -78.13 -40.46 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.1 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.18 -71.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 2.4 pp20? -40.82 -36.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.4 46.59 1.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.618 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.53 -51.34 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 78.08 0.65 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.96 -11.57 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 44.82 50.5 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.565 ' OD2' HG23 ' A' ' 26' ' ' VAL . 11.2 t0 -135.47 107.7 7.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.83 -10.69 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -81.1 -50.22 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG23 ' OD2' ' A' ' 23' ' ' ASP . 2.5 t -76.72 -7.69 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.6 mt -88.98 -65.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.635 ' HB3' HG11 ' A' ' 57' ' ' VAL . 5.9 ptpp? -51.43 -40.13 58.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.6 mtpp -65.21 -47.51 76.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.725 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -49.44 -52.35 29.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.908 ' CD2' HD23 ' A' ' 11' ' ' LEU . 6.3 t80 -44.73 -56.35 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.672 ' HB2' HG11 ' A' ' 53' ' ' VAL . 47.9 t0 -60.03 -22.91 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -71.0 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.632 ' HB3' HD11 ' A' ' 11' ' ' LEU . 11.4 tp10 -56.0 -47.08 78.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.782 ' HA ' HD23 ' A' ' 38' ' ' LEU . 38.4 t -58.53 -48.16 81.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 3.5 mmtp -40.82 -37.47 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.55 -54.67 3.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.615 1.197 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.782 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -45.69 -47.03 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CE2' HD11 ' A' ' 4' ' ' LEU . 3.9 m-30 -117.73 42.78 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.445 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.06 -23.18 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' ILE . 38.3 p -90.81 -44.76 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.687 HG23 ' HD2' ' A' ' 43' ' ' PRO . 27.5 mm -38.91 141.9 0.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.09 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 1.1 p90 -107.87 33.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.644 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -91.05 -53.34 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 p -71.8 -32.34 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 4.6 mmm180 -68.99 -58.24 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.238 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -62.0 -31.24 71.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.591 ' O ' HG13 ' A' ' 53' ' ' VAL . 3.2 m -65.04 -51.99 58.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.41 -14.43 40.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -104.48 1.32 29.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.575 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 67.5 t80 -103.57 -41.15 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.754 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.5 m -56.46 -17.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -137.16 69.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t 179.53 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.948 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 60' ' ' ILE . 40.3 mttt -131.84 10.27 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.639 HG21 ' HA ' ' A' ' 53' ' ' VAL . 2.1 t -96.81 -44.45 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -52.62 -44.76 95.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.696 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -74.94 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.682 HG21 ' CG2' ' A' ' 12' ' ' VAL . 18.7 mt -44.89 -54.86 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.1 HG23 ' CE2' ' A' ' 16' ' ' TYR . 48.0 mt -59.18 -25.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.696 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.971 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -87.35 -43.57 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.94 HD11 HG12 ' A' ' 13' ' ' VAL . 17.1 mt -65.89 -41.44 91.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.35 -32.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.31 -48.79 49.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 -24.29 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 63' ' ' GLU . 29.1 m -54.12 149.9 8.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.49 166.98 24.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.672 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -75.05 -1.06 10.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.57 4.84 12.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -114.85 -38.09 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 69' ' ' ALA . 21.3 t -40.84 -56.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -78.22 70.33 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.738 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -176.58 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.738 ' N ' HG22 ' A' ' 75' ' ' THR . 11.2 ptpt -77.14 -40.69 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.971 HD22 ' HG2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -56.0 -16.61 5.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 44.7 t30 77.76 56.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 4.3 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -40.24 -57.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 9' ' ' CYS . 12.6 t -52.97 -68.29 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.166 . . . . 0.0 108.278 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' GLU . 1.1 mp0 -40.31 -56.59 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.611 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 50.8 mtt -45.56 -29.17 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.608 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -66.32 -44.6 82.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.218 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.504 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 mt-10 -66.59 -8.7 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.982 HD23 ' CE2' ' A' ' 31' ' ' PHE . 63.3 tp -91.34 -51.79 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG11 HG23 ' A' ' 57' ' ' VAL . 11.4 m -62.94 -47.56 92.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.91 HG12 HD11 ' A' ' 64' ' ' LEU . 18.9 m -59.54 -57.49 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.604 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.1 tttp -43.48 -35.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' SER . 30.5 mmtt -78.06 -40.53 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.144 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.83 -71.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 111.015 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.644 ' HG2' HD13 ' A' ' 64' ' ' LEU . 6.7 mm-40 -40.43 -37.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.79 46.87 1.07 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.668 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -84.43 -51.02 7.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.971 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.2 -8.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -114.99 -14.5 11.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 48.72 67.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.586 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -150.83 116.0 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.9 -8.83 24.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 12.3 t-20 -81.39 -50.06 9.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -76.61 -9.55 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.69 HG21 ' HB2' ' A' ' 16' ' ' TYR . 57.4 mt -89.84 -68.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.525 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -45.66 -43.48 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.2 mtpp -64.34 -53.7 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.6 m-20 -46.19 -55.22 7.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.982 ' CE2' HD23 ' A' ' 11' ' ' LEU . 3.1 t80 -41.15 -52.07 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.94 -38.05 78.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.98 -50.61 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HB3' HD11 ' A' ' 11' ' ' LEU . 8.8 tp10 -71.07 -63.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -39.51 -33.84 0.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' HIS . 10.6 mmtm -59.69 -77.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -27.33 61.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.622 HD22 ' CD1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.46 -56.25 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.667 ' CG ' HD12 ' A' ' 42' ' ' ILE . 14.7 m-30 -119.02 50.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.69 ' CD2' HG23 ' A' ' 41' ' ' THR . 4.2 p80 -65.8 -43.69 87.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' CD2' ' A' ' 40' ' ' HIS . 23.7 p -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.667 HD12 ' CG ' ' A' ' 39' ' ' PHE . 1.3 mt -50.66 141.07 18.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.99 -86.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.803 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -69.87 -0.86 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.58 -62.41 6.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -60.4 -31.76 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.11 -52.29 65.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -36.71 77.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.409 ' O ' HG13 ' A' ' 53' ' ' VAL . 89.5 m -58.38 -46.63 85.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.23 -17.49 62.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.25 8.11 43.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.642 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.611 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 38.7 t80 -108.14 -34.86 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.587 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 10.7 m -65.76 -10.95 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -141.19 63.13 1.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -176.0 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.503 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.3 mmtp -133.91 17.49 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.571 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.65 -24.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.663 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.39 -42.92 2.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -74.98 -51.74 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 9' ' ' CYS . 16.9 mt -49.57 -43.67 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.144 HG23 ' CE2' ' A' ' 16' ' ' TYR . 78.4 mt -72.69 -20.55 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.703 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.819 ' HB3' HG22 ' A' ' 73' ' ' VAL . 2.6 mm-40 -84.29 -48.06 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.91 HD11 HG12 ' A' ' 13' ' ' VAL . 7.8 mt -66.05 -35.53 80.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 1.4 pp20? -75.34 -28.6 59.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.14 -45.06 12.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.19 -20.89 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.711 HG21 ' OE2' ' A' ' 63' ' ' GLU . 1.9 m -59.71 146.77 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -78.64 167.94 31.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.696 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.6 Cg_endo -74.94 -6.66 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.74 -2.14 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.561 ' CB ' HG23 ' A' ' 68' ' ' THR . 0.8 OUTLIER -103.4 -32.36 9.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -57.18 -47.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.88 59.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 173.23 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.68 63.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.581 HD11 ' CE1' ' A' ' 62' ' ' HIS . 4.2 mt -89.36 22.39 2.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 m120 54.65 19.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' OE2' ' OH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 1.009 HD23 ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 1.009 ' N ' HD23 ' A' ' 4' ' ' LEU . 7.3 t -66.73 -49.02 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -56.94 -58.91 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 108.284 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -43.6 -51.98 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.522 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 16.5 mtt -47.61 -33.9 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.695 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -63.25 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 108.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' HG22 ' A' ' 13' ' ' VAL . 7.1 tt0 -74.58 -5.93 45.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.011 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.0 tp -92.9 -39.36 11.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.605 HG11 ' CG2' ' A' ' 57' ' ' VAL . 10.1 m -73.64 -47.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.732 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -64.08 -59.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.613 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.7 ttpp -43.89 -36.17 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 69.1 mmtt -77.33 -38.33 50.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.191 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.1 t80 -76.84 -72.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.5 pp20? -42.0 -30.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.64 40.37 2.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.5 p -78.56 -54.81 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.51 -6.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 1.1 p-10 -113.09 -18.57 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.9 mmmt 53.8 63.58 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.6 t0 -147.68 107.08 3.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -13.83 26.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.435 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 t30 -79.69 -38.24 33.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.23 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 23' ' ' ASP . 4.1 t -87.03 -7.81 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.881 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.9 mt -91.89 -59.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.713 ' CB ' HG11 ' A' ' 57' ' ' VAL . 3.9 ptpp? -53.77 -44.52 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.1 mtpp -67.08 -47.64 70.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.716 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.7 m-20 -48.95 -52.57 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.011 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.0 t80 -43.69 -56.4 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.424 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 44.4 t0 -49.19 -37.81 23.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -50.48 -56.98 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.7 tp10 -71.17 -56.23 6.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -39.36 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 108.358 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -68.86 -77.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.6 15.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.758 HD23 ' CE2' ' A' ' 39' ' ' PHE . 14.4 tp -77.84 -75.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.758 ' CE2' HD23 ' A' ' 38' ' ' LEU . 7.5 m-85 -93.09 31.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.566 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -49.27 -58.92 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.666 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 41' ' ' THR . 9.2 t -87.72 71.53 9.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mt -149.3 141.59 15.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.221 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 112.56 3.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.561 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.66 0.59 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' CA ' HG22 ' A' ' 42' ' ' ILE . . . -57.3 -63.11 5.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -61.14 -26.79 67.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.49 -44.37 78.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.24 -34.33 65.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' O ' HG13 ' A' ' 53' ' ' VAL . 73.6 m -51.07 -46.03 61.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.215 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -76.49 -25.11 53.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -89.67 14.08 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 20.3 t80 -117.41 -42.74 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.8 m -78.81 53.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 51.9 t30 175.43 40.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.1 t 177.62 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -111.95 -1.19 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.713 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -99.11 -23.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -77.24 -44.45 2.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.625 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.99 -51.19 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 13' ' ' VAL . 15.7 mt -48.26 -47.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.191 HG23 ' CE2' ' A' ' 16' ' ' TYR . 77.1 mt -67.84 -23.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.716 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.54 -17.26 62.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.568 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.982 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.07 -51.09 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD11 HG12 ' A' ' 13' ' ' VAL . 2.5 mt -65.29 -40.0 93.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 65' ' ' GLU . 1.3 pp20? -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.78 -55.4 9.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.09 43.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.568 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.4 m -123.17 140.34 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -67.88 163.41 50.19 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.613 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -74.99 -11.64 21.49 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -2.2 29.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.519 ' HB3' HG23 ' A' ' 68' ' ' THR . 7.0 t0 -102.98 -37.13 7.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 69' ' ' ALA . 4.0 t -51.99 -55.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -78.14 66.23 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -164.83 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.624 ' N ' HG22 ' A' ' 75' ' ' THR . 1.7 mttm -82.82 -17.61 43.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.982 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.0 mm? -83.07 -5.84 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.91 28.87 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 11.7 pt-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.678 HD12 ' HG3' ' A' ' 8' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -34.67 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.69 -67.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -57.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.678 ' HG3' HD12 ' A' ' 4' ' ' LEU . 21.9 mtt -51.24 -38.96 55.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -66.35 -37.13 84.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.533 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 3.8 mt-10 -74.36 -4.75 38.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.2 tp -93.06 -48.33 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.894 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.5 m -64.09 -44.82 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.135 HG12 HD11 ' A' ' 64' ' ' LEU . 34.4 m -64.11 -58.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.588 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.5 ttpt -43.98 -32.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' SER . 56.1 mmtt -81.27 -39.92 24.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.979 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -72.24 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' VAL . 30.7 mm-40 -46.28 -38.3 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.49 50.17 0.8 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -104.14 -43.46 5.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 0.802 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 66.03 10.35 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -119.6 -10.61 9.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mptt 42.51 42.47 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -121.78 115.69 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.388 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.36 -3.24 25.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 m120 -88.93 -46.35 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -83.29 -7.04 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.579 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 60.3 mt -90.56 -53.25 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.5 ptpp? -64.2 -33.0 74.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.0 mtpp -69.25 -51.68 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -49.01 -49.11 42.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 11' ' ' LEU . 2.0 t80 -47.46 -55.05 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 8.5 t0 -55.84 -21.16 18.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.35 -56.55 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.722 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.6 tp10 -83.53 16.45 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 6.5 t -117.4 -42.35 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.512 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.1 OUTLIER -63.29 -57.06 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -68.72 -33.43 73.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -59.8 -56.51 20.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE2' HD21 ' A' ' 4' ' ' LEU . 4.4 m-30 -122.92 57.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 2.7 t60 -68.08 -59.73 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' ILE . 5.2 t -52.62 -41.86 64.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.684 HG23 ' HD2' ' A' ' 43' ' ' PRO . 2.4 mm -38.29 141.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.684 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.92 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 11.6 p90 -107.51 30.92 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.662 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -87.56 -75.63 1.28 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 36' ' ' LYS . 47.8 p -57.42 -34.71 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -60.33 -49.24 78.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -69.83 -37.35 76.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 76.5 m -49.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.24 -27.66 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -87.77 9.52 21.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.637 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 23.8 t80 -114.57 -48.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.595 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 12.1 m -55.94 -22.41 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -134.36 58.29 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -172.51 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.488 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.3 mptt -124.63 15.48 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.59 -46.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -51.45 -44.88 90.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.5 Cg_endo -74.89 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.894 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.5 mt -45.64 -58.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.979 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.28 -22.84 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.22 -52.84 52.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.922 ' OE1' HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.19 -49.91 68.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.135 HD11 HG12 ' A' ' 13' ' ' VAL . 39.1 mt -59.82 -40.57 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.7 -56.48 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.91 -45.55 86.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.84 44.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.688 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.0 m -111.41 138.12 48.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -57.02 161.95 4.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.449 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.1 Cg_endo -74.97 -12.03 21.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -99.92 -20.82 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HB3' HG23 ' A' ' 68' ' ' THR . 1.4 m-20 -79.37 -28.89 41.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -66.97 -48.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 62.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -179.58 -51.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.612 ' C ' HD23 ' A' ' 77' ' ' LEU . 6.3 mttm -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.922 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.18 34.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 41.49 33.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.402 ' OE2' HG13 ' A' ' 60' ' ' ILE . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.23 -36.23 74.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 43.4 t -59.64 -58.13 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.27 -50.56 15.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.585 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 64.3 mtt -47.19 -38.72 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.611 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -59.28 -35.65 74.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 108.257 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 mt-10 -78.52 -6.96 56.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.936 HD23 ' CD2' ' A' ' 31' ' ' PHE . 67.8 tp -89.4 -48.59 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.614 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.8 m -63.63 -51.65 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.035 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -58.0 -58.29 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.602 ' N ' HG23 ' A' ' 13' ' ' VAL . 6.4 ttpt -44.33 -32.45 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 13.4 mmtt -78.66 -41.72 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.953 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.59 -66.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.996 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.5 mm-40 -40.48 -41.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.27 42.8 1.8 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.711 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.1 p -72.69 -51.11 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 85.27 -13.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -115.65 -28.83 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 66.07 62.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.663 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -144.06 115.59 8.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -10.76 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 2.2 m-20 -80.12 -42.29 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -83.43 -7.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.575 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.0 mt -91.76 -65.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.625 ' HB3' HG11 ' A' ' 57' ' ' VAL . 6.1 ptmt -49.89 -40.2 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 13.2 mtpp -69.43 -56.39 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.778 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.8 m-20 -42.43 -53.59 4.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.936 ' CD2' HD23 ' A' ' 11' ' ' LEU . 12.0 t80 -43.03 -63.41 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 12.0 t70 -44.73 -34.88 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -60.05 -57.46 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.6 tp10 -88.07 27.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.639 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.4 t -120.85 -56.42 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 5.5 mttt -65.74 -37.22 85.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -76.01 -42.55 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -70.29 -58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.705 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 54.6 m-85 -87.24 24.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -58.11 -18.36 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.691 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' ILE . 22.7 p -89.27 -56.42 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' THR . 3.9 mm -28.94 139.88 0.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.548 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.07 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.2 m-85 75.67 -2.52 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.47 -42.34 9.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' CD ' ' A' ' 36' ' ' LYS . 70.6 p -51.73 -47.18 64.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -52.57 -38.61 60.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -72.59 -35.52 67.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.66 -58.06 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.4 -28.22 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.18 -0.68 41.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 7.9 t80 -101.99 -29.62 11.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.2 m -90.31 34.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -179.22 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.55 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.9 mmtp -117.03 -5.47 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.625 HG11 ' HB3' ' A' ' 28' ' ' LYS . 1.7 t -97.39 -47.76 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -51.87 -43.73 89.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.0 Cg_endo -75.05 -56.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.614 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.3 mt -45.4 -58.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.953 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.7 mt -59.61 -22.33 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.13 -30.53 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.787 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -83.47 -57.86 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.035 ' CD1' HG12 ' A' ' 13' ' ' VAL . 4.7 mt -51.3 -46.47 62.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -61.56 -37.97 85.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.31 -27.15 72.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.3 -2.06 6.64 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 72' ' ' ASP . 3.0 m -70.51 158.17 36.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.907 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.08 163.87 41.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.705 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.97 -0.91 10.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -110.85 -8.21 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HB2' HG23 ' A' ' 68' ' ' THR . 64.3 m-20 -99.52 -33.98 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 69' ' ' ALA . 17.3 t -59.4 -52.79 56.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.0 70.52 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 175.03 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -75.32 -46.45 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' CD1' ' OE1' ' A' ' 63' ' ' GLU . 10.6 mt -87.18 17.45 4.29 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 49.55 39.68 17.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.726 ' OE2' HG12 ' A' ' 73' ' ' VAL . 12.3 pt-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.825 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -44.93 -33.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 9' ' ' CYS . 4.6 t -57.38 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.7 mt-30 -39.63 -53.05 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.625 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 30.8 mtt -45.29 -36.31 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.655 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -62.75 -41.34 99.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 108.237 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.569 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.8 mt-10 -69.64 -6.32 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 34' ' ' GLU . 24.0 tp -94.06 -39.79 10.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.505 HG11 ' CG2' ' A' ' 57' ' ' VAL . 7.0 m -74.49 -43.17 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.969 HG12 HD11 ' A' ' 64' ' ' LEU . 34.2 m -65.58 -60.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.628 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.45 -32.13 2.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 19' ' ' SER . 33.7 mmtt -80.7 -34.86 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.136 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.17 -69.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 13' ' ' VAL . 1.2 pp20? -60.5 -16.9 41.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.27 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 30.51 5.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.698 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -82.65 -54.39 5.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.46 -6.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 7.0 p-10 -109.82 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 5.1 mmtt 58.74 65.28 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.611 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -149.17 109.39 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -60.75 -12.62 11.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.14 -55.75 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -72.42 -4.97 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 65.8 mt -88.67 -67.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.684 ' HB3' HG11 ' A' ' 57' ' ' VAL . 8.5 ptmt -51.46 -37.64 49.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -66.93 -48.2 69.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.767 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -49.64 -53.35 24.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.704 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.7 t80 -43.55 -58.05 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.29 -28.8 3.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.32 -61.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.654 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.6 tp10 -83.45 25.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 13.6 t -123.64 -47.66 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 108.343 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -63.87 -38.29 90.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.71 -36.45 21.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.504 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.3 tp -65.91 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD2' ' SG ' ' A' ' 35' ' ' CYS . 14.5 m-85 -88.99 27.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -55.33 -51.38 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.616 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 43.1 p -55.17 -46.76 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.727 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.7 mt -43.78 142.94 1.8 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -106.69 32.83 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.609 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -85.45 -55.1 2.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.7 p -59.72 -41.96 92.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.761 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -60.16 -42.67 95.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.19 -28.73 62.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -55.05 -66.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.18 -26.48 60.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.2 0.29 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 37.6 t80 -112.42 -49.33 2.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.704 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.8 m -52.93 -21.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.54 70.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.6 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.526 1.142 . . . . 0.0 109.975 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 7.7 mmtt -127.91 3.73 5.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 28' ' ' LYS . 2.1 t -97.11 -43.67 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -54.6 -44.19 98.86 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.676 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.5 Cg_endo -75.03 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 56' ' ' LYS . 21.3 mt -45.79 -54.08 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.136 HG23 ' CE2' ' A' ' 16' ' ' TYR . 13.8 mt -61.6 -23.82 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.218 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.676 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.24 -46.84 82.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.776 ' HG2' HD21 ' A' ' 77' ' ' LEU . 1.2 tp10 -60.48 -52.36 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.301 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.969 HD11 HG12 ' A' ' 13' ' ' VAL . 6.0 mt -57.56 -35.69 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.438 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 4.8 mt-10 -64.76 -25.02 67.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.06 -24.32 45.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.4 2.42 7.57 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.67 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.8 m -70.76 141.3 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.893 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -68.52 163.37 54.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 -21.02 16.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -96.48 3.19 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.585 ' HB3' HG23 ' A' ' 68' ' ' THR . 7.5 t0 -105.9 -32.0 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 69' ' ' ALA . 4.1 t -63.38 -42.74 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -80.81 66.75 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.542 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER 174.38 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.542 ' N ' HG22 ' A' ' 75' ' ' THR . 0.9 OUTLIER -59.56 -36.29 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 73' ' ' VAL . 4.0 mm? -70.52 -6.33 35.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.36 29.49 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.384 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.741 HD12 ' CE1' ' A' ' 39' ' ' PHE . 3.5 mm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.7 t -37.95 -37.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.967 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -54.68 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' GLU . 9.4 tp60 -45.74 -51.18 12.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.642 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 31.9 mtt -46.08 -46.17 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.521 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -57.82 -32.15 67.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 108.243 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 18.6 mt-10 -82.43 -3.23 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.908 HD23 ' CE2' ' A' ' 31' ' ' PHE . 61.5 tp -93.46 -44.27 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' A' ' 60' ' ' ILE . 24.5 m -65.94 -37.55 80.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.22 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.027 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -67.68 -58.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.626 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -46.92 -31.81 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.527 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.8 mmtt -81.56 -40.41 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.925 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.01 -68.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' VAL . 50.1 mm-40 -43.73 -42.9 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.26 46.86 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.706 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -81.14 -49.66 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 58.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 162.83 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.71 62.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.361 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.61 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -135.07 102.67 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -52.03 -18.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 23' ' ' ASP . 78.0 m-20 -72.58 -54.67 8.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -72.44 -6.96 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 93.0 mt -90.75 -73.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HB3' HG11 ' A' ' 57' ' ' VAL . 9.0 ptmt -42.18 -39.64 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 10.2 mtpp -69.99 -45.73 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.185 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.716 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.3 m-20 -52.47 -49.68 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.908 ' CE2' HD23 ' A' ' 11' ' ' LEU . 1.9 t80 -48.45 -50.15 32.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.61 -25.17 37.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.47 -74.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.848 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.3 tp10 -50.11 -28.08 6.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 39' ' ' PHE . 4.1 t -73.97 -37.66 64.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.26 -0.78 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -115.77 -49.81 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.38 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -80.14 -48.64 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.741 ' CE1' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.53 7.09 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -52.9 63.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.659 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -54.94 -18.98 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.513 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 11.6 mm -79.24 140.96 57.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.03 -66.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.508 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -85.81 5.88 30.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' CA ' ' CD2' ' A' ' 39' ' ' PHE . . . -59.54 -76.41 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 46' ' ' THR . 75.8 p -38.49 -34.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.751 . . . . 0.0 110.415 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -65.61 -50.45 65.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -68.79 -26.09 65.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.1 m -53.5 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.276 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.79 -24.63 36.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -83.05 0.9 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.634 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 18.2 t80 -113.21 -48.93 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.764 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.6 m -54.52 -18.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 55' ' ' SER . 6.9 m-20 -136.77 72.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 165.81 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 13.2 mttp -132.41 9.5 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -97.81 -49.56 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -49.69 -43.56 73.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.703 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -56.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.796 HG21 HG21 ' A' ' 12' ' ' VAL . 10.0 mt -45.87 -59.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.925 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -58.67 -20.52 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.384 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.703 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.56 -29.06 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.713 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -82.65 -58.97 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.027 ' CD1' HG12 ' A' ' 13' ' ' VAL . 6.2 mt -50.98 -44.68 60.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.58 -31.91 73.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.53 64.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.34 -14.79 1.86 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.456 ' OG1' ' OE2' ' A' ' 63' ' ' GLU . 1.9 m -61.67 154.48 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.948 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -80.12 169.38 20.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.942 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.98 -15.26 20.88 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 14.45 23.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 81.3 m-20 -124.77 -0.38 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 69' ' ' ALA . 41.1 t -89.31 -38.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 79' ' ' GLU . 1.7 m -71.06 -6.54 39.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -114.65 -19.67 11.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.476 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.758 ' HG3' HD23 ' A' ' 77' ' ' LEU . 6.1 tptt -67.51 -70.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.758 HD23 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -86.33 32.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 37.62 31.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 8.3 mm-40 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.22 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 39' ' ' PHE . 1.9 mm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -35.02 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' CYS . 37.2 t -68.95 -76.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -39.49 -51.9 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.593 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 54.2 mtt -47.14 -40.57 15.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 1.168 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.66 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -58.99 -33.42 70.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 13' ' ' VAL . 31.5 tt0 -79.94 -6.07 56.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 31' ' ' PHE . 53.2 tp -91.19 -44.27 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 57' ' ' VAL . 16.5 m -68.01 -50.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -60.9 -59.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.606 ' N ' HG23 ' A' ' 13' ' ' VAL . 11.9 ttpt -44.67 -34.31 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' SER . 32.3 mmtt -77.13 -41.05 43.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.976 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.56 -71.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.7 mm-40 -36.91 -41.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.13 52.94 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.602 1.189 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.673 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -92.27 -45.9 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.23 -7.94 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -114.34 -22.15 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 2.4 mppt? 52.26 66.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.587 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -148.03 116.59 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -8.6 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.5 m-20 -82.87 -49.43 9.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -79.37 -10.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.693 HG21 ' HB2' ' A' ' 16' ' ' TYR . 62.9 mt -89.8 -74.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.0 ptmt -39.32 -44.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 14.0 mtpp -65.1 -52.47 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.8 m-20 -45.25 -55.28 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.77 ' O ' HD21 ' A' ' 11' ' ' LEU . 3.6 t80 -41.75 -52.1 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -51.8 -46.82 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.21 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.741 ' CB ' HD11 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -45.45 -44.59 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.618 ' SG ' ' CD2' ' A' ' 11' ' ' LEU . 24.9 m -55.81 -42.76 76.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.8 mtpt -74.71 -0.18 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.89 -47.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -100.17 -48.55 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE1' HD12 ' A' ' 4' ' ' LEU . 14.8 m-85 -85.94 14.34 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -64.25 -58.95 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.598 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.582 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 81.3 p -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -72.36 138.84 81.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.12 -74.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.55 -19.94 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.39 -47.2 63.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.411 1.069 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.1 p -73.09 -39.56 65.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -63.75 -45.15 91.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -39.53 69.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.491 ' SG ' ' HE1' ' A' ' 8' ' ' MET . 1.3 m -59.33 -44.86 92.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 108.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.46 -22.91 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.72 6.45 48.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 21.4 t80 -104.2 -36.66 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -82.36 51.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 55' ' ' SER . 10.7 t30 179.56 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.1 m 163.62 -28.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.53 ' O ' HD12 ' A' ' 60' ' ' ILE . 14.1 mmtt -118.99 -1.2 11.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.688 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.5 -43.48 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -57.75 -43.64 98.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -75.0 -50.89 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.571 HG21 ' CG2' ' A' ' 12' ' ' VAL . 13.2 mt -49.16 -45.38 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.976 HG23 ' CE2' ' A' ' 16' ' ' TYR . 62.9 mt -73.08 -18.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.714 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -70.49 -27.87 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.728 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.54 -52.25 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.002 HD11 HG12 ' A' ' 13' ' ' VAL . 4.8 mt -60.09 -40.93 91.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 1.8 pp20? -70.68 -25.37 62.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.22 -38.05 30.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.4 -16.87 1.67 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.531 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 2.7 m -63.98 155.59 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.915 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -85.52 168.58 19.32 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.806 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -74.91 -17.99 19.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 10.26 41.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -115.71 -38.04 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.1 t -56.17 -47.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.88 57.5 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -156.74 -58.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 0.0 110.451 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.583 ' N ' HG22 ' A' ' 75' ' ' THR . 4.0 mttt -79.56 -38.4 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CB ' ' OE2' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -67.17 -7.12 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.89 35.17 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 12.6 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.975 HD23 ' N ' ' A' ' 5' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.975 ' N ' HD23 ' A' ' 4' ' ' LEU . 8.4 t -46.08 -41.76 12.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.061 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.75 -63.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.39 -47.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 39.8 mtt -51.4 -42.25 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.651 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -59.65 -31.44 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.518 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -80.11 -8.48 59.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.913 HD23 ' CD2' ' A' ' 31' ' ' PHE . 56.3 tp -90.64 -42.54 10.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.738 HG11 HG23 ' A' ' 57' ' ' VAL . 11.0 m -68.48 -48.37 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.785 HG12 HD11 ' A' ' 64' ' ' LEU . 29.9 m -60.82 -58.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.592 ' N ' HG23 ' A' ' 13' ' ' VAL . 8.3 tttp -43.73 -32.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -81.51 -40.54 23.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.047 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.47 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.813 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.7 mm-40 -46.73 -38.47 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.54 37.17 3.95 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.654 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.5 t -87.73 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.18 -1.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 14.2 p-10 -111.73 -15.9 13.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 3.3 mmmt 51.23 56.65 7.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.578 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -140.18 113.12 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -5.19 24.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 4.6 t-20 -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.578 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.09 -11.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.615 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.7 mt -85.8 -74.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.0 ptpp? -41.99 -36.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 15.7 mtpp -67.54 -47.57 69.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.771 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.71 -47.52 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.913 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.5 t80 -45.79 -54.8 7.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -57.92 -23.88 55.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.4 -73.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.225 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.794 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.5 tp10 -52.93 -29.61 29.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -67.12 -54.79 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 4.4 mmmm -50.42 -17.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 19.7 mtpp -102.11 -68.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -54.06 -52.17 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' CYS . 35.1 m-85 -88.62 36.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.718 ' C ' HG22 ' A' ' 41' ' ' THR . 2.8 t-160 -91.59 70.74 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.718 HG22 ' C ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER 164.53 -40.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.73 HG23 ' HD2' ' A' ' 43' ' ' PRO . 33.5 mm -40.12 142.96 0.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.93 26.23 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.535 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER 162.29 39.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.1 -62.6 1.0 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 39' ' ' PHE . 31.2 p -61.8 -30.17 70.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -72.14 -67.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -26.97 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 2.0 m -61.85 -55.08 33.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -57.5 -17.46 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.03 5.23 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 27.2 t80 -104.14 -51.94 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.555 HG12 ' CD1' ' A' ' 31' ' ' PHE . 10.4 m -49.48 -35.72 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.407 ' C ' ' OG ' ' A' ' 55' ' ' SER . 10.7 m120 -105.29 31.67 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.677 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -174.78 98.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.538 1.149 . . . . 0.0 110.024 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.677 ' CB ' ' O ' ' A' ' 55' ' ' SER . 13.8 mmtt 102.88 0.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.738 HG23 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -98.31 -22.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.661 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 t0 -78.31 -42.17 2.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.1 Cg_endo -75.07 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.587 1.835 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.613 HG23 HG11 ' A' ' 73' ' ' VAL . 53.9 mt -46.45 -48.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.047 HG23 ' CE2' ' A' ' 16' ' ' TYR . 81.8 mt -66.21 -27.33 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.694 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.17 -14.41 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.599 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 1.057 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -82.94 -50.43 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.395 1.06 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.953 HD23 ' O ' ' A' ' 68' ' ' THR . 0.9 OUTLIER -70.87 -27.45 63.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 1.6 mt-10 -68.1 -38.27 82.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.82 -51.92 6.76 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.67 42.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.953 ' O ' HD23 ' A' ' 64' ' ' LEU . 25.1 m -120.27 119.1 32.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.595 0.82 . . . . 0.0 110.383 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -51.86 163.79 0.62 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.758 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.03 -19.11 18.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 10.6 37.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.75 -38.29 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.73 HG22 ' HB3' ' A' ' 63' ' ' GLU . 11.0 t -51.62 -53.37 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.503 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.7 m -75.66 73.51 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER 179.23 -63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.524 ' N ' HG22 ' A' ' 75' ' ' THR . 6.5 tttp -73.53 -28.0 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.057 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -72.93 -2.15 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.93 23.93 14.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.503 ' CG ' ' HA ' ' A' ' 74' ' ' CYS . 5.4 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 8' ' ' MET . 1.6 mp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -48.66 -64.53 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 7' ' ' GLN . 13.2 m -61.04 -68.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 6' ' ' CYS . 3.3 mm-40 -33.04 -63.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 33.7 mtt -45.42 -47.05 13.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.693 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.5 t -60.6 -33.04 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.489 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.8 mt-10 -80.55 -4.95 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 31' ' ' PHE . 38.4 tp -92.66 -40.16 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.84 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.9 m -72.96 -49.64 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.042 HG12 HD11 ' A' ' 64' ' ' LEU . 34.8 m -61.48 -58.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.1 ttpp -44.89 -33.89 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 48.6 mmtt -77.94 -40.11 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.002 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.68 -67.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 mm-40 -39.69 -40.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.13 48.91 0.9 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.4 p -80.46 -54.75 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.75 -7.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -116.93 -9.2 11.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt 43.25 70.52 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.662 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -154.19 109.15 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -61.48 -12.83 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 5.6 t-20 -78.94 -40.0 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.662 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -85.87 -4.62 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.772 HG21 ' HB2' ' A' ' 16' ' ' TYR . 71.4 mt -94.04 -50.63 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.771 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.2 ptmt -67.6 -30.76 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.4 mtpp -75.05 -49.4 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -52.75 -50.46 63.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.829 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -52.74 -38.0 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.47 -30.23 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.73 -72.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.1 tp10 -48.18 -40.66 24.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 52.8 t -59.38 -55.71 31.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.46 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 31.8 mttt -59.25 -5.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -100.76 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -61.43 -48.64 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.577 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 18.4 m-85 -85.64 34.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 36' ' ' LYS . 30.4 t60 -89.4 -36.96 15.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.629 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.3 p -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.375 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -62.68 140.1 97.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.597 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 43' ' ' PRO . 6.2 m-85 -155.56 19.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.438 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -67.17 -58.78 7.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.401 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 73.7 p -55.07 -34.18 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -65.57 -49.18 69.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.75 -25.24 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' O ' HG13 ' A' ' 53' ' ' VAL . 88.7 m -53.55 -55.82 22.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.83 2.23 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.533 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.734 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 t80 -115.05 -42.71 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -81.45 48.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' SER . 64.6 t30 175.24 47.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.4 m 158.93 -23.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.067 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -119.34 -7.82 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.771 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -97.79 -48.61 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.638 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.48 -44.16 88.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.714 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.88 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.84 HG21 ' CG2' ' A' ' 12' ' ' VAL . 10.7 mt -43.57 -56.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.002 HG23 ' CE2' ' A' ' 16' ' ' TYR . 2.4 mt -58.8 -24.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.714 ' CG ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -62.99 -28.89 70.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.615 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.755 ' OE2' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -77.27 -50.85 11.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.042 HD11 HG12 ' A' ' 13' ' ' VAL . 22.4 mt -58.94 -37.48 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.65 -28.27 65.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.28 -40.61 19.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.16 -13.14 2.33 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.755 HG21 ' OE2' ' A' ' 63' ' ' GLU . 5.1 m -61.66 142.67 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.397 0.704 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.864 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -71.43 168.05 24.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.01 -21.72 15.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -96.66 10.24 39.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 68' ' ' THR . 4.1 m-20 -114.4 -35.07 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.2 t -58.55 -41.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.61 62.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.48 -59.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -67.98 -23.53 65.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.693 HD11 ' CE1' ' A' ' 62' ' ' HIS . 4.4 mm? -86.16 12.28 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m120 49.71 29.56 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.53 ' OE1' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -48.83 -50.31 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 1.3 t -48.31 -51.98 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tp60 -50.59 -52.94 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 55.5 mtt -49.26 -39.18 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.785 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -60.09 -31.9 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' HG22 ' A' ' 13' ' ' VAL . 3.2 mt-10 -80.24 -6.71 58.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.019 HD23 ' CD2' ' A' ' 31' ' ' PHE . 34.9 tp -93.25 -37.86 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.712 ' CG2' HG21 ' A' ' 60' ' ' ILE . 9.4 m -73.72 -33.86 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 HD11 ' A' ' 64' ' ' LEU . 23.3 m -70.63 -58.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.622 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -48.81 -33.34 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.359 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.2 mmtt -78.06 -40.49 38.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.177 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.54 -71.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.7 mm-40 -37.33 -41.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.246 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.68 54.0 0.59 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -91.03 -49.86 6.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 0.749 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 -10.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -115.64 -12.01 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt 44.92 63.56 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.457 ' OD2' HG23 ' A' ' 26' ' ' VAL . 28.4 t0 -138.76 110.06 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -14.14 14.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.404 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 25.7 m-20 -79.71 -59.33 2.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.457 HG23 ' OD2' ' A' ' 23' ' ' ASP . 2.0 t -69.76 -7.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.767 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.6 mt -91.18 -59.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.686 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.9 ptpp? -50.96 -40.37 57.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 13.9 mtpp -68.56 -49.85 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.7 m-20 -45.25 -49.86 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.019 ' CD2' HD23 ' A' ' 11' ' ' LEU . 9.5 t80 -46.85 -63.31 1.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 27.8 t0 -44.79 -40.39 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -48.88 -62.92 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.99 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -82.04 14.71 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 1.3 t -100.09 -63.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.085 . . . . 0.0 108.327 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HA ' HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -59.88 -29.8 68.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -79.81 -54.56 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.586 HD23 ' C ' ' A' ' 38' ' ' LEU . 2.5 tt -60.48 -57.42 12.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HD1' HD12 ' A' ' 42' ' ' ILE . 25.9 m-85 -88.14 30.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.7 OUTLIER -57.71 -18.62 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.556 HG23 ' CD2' ' A' ' 40' ' ' HIS . 72.4 p -127.78 72.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.394 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.5 mt -149.48 142.2 15.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.11 106.96 2.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 77.15 -3.86 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.95 -59.86 7.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 36' ' ' LYS . 68.8 p -59.62 -34.55 72.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -63.4 -45.27 91.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -69.48 -32.7 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 83.2 m -48.9 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.76 -29.59 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.17 9.9 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 14.6 t80 -114.88 -40.39 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 m -83.49 52.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t30 173.13 43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.68 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -116.31 -3.97 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.686 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.2 t -98.11 -20.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.07 -45.28 2.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HA ' ' ND1' ' A' ' 62' ' ' HIS . 18.5 Cg_endo -74.96 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.712 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.2 mt -47.51 -49.22 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.177 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.9 mt -65.94 -25.8 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.731 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -73.12 -18.43 61.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.578 ' CB ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -81.86 -56.96 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.289 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.943 HD11 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -63.65 -47.73 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 62' ' ' HIS . 0.9 OUTLIER -60.74 -27.89 68.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.41 -42.22 23.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.84 -20.35 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 3.5 m -59.35 165.65 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.678 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -98.24 165.42 15.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.836 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -75.01 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 6.07 9.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -114.86 -15.26 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 69' ' ' ALA . 1.9 t -69.51 -48.23 67.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 51.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.82 -60.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -30.7 70.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -88.81 15.76 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.7 22.31 1.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.533 ' OE1' HD11 ' A' ' 60' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.71 85.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.994 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.04 -148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.12 -13.37 35.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.712 ' N ' HD13 ' A' ' 4' ' ' LEU . 4.4 p -44.97 -49.17 11.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLN . 34.8 m -58.13 -55.6 32.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -34.93 -59.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.569 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 9.3 mtt -46.19 -48.97 17.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.737 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -55.56 -31.94 62.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.51 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 tt0 -83.75 -4.52 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.67 HD11 ' CD ' ' A' ' 34' ' ' GLU . 41.2 tp -92.43 -41.51 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.647 HG13 ' CD2' ' A' ' 31' ' ' PHE . 16.5 m -71.62 -49.36 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.956 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.7 -58.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.584 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.6 ttpp -44.95 -32.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 63.0 mmtt -82.5 -36.11 26.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.112 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.24 -67.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 2.8 pp20? -52.92 -29.44 28.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.44 67.58 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.728 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.7 t -104.51 -94.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.054 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 19' ' ' SER . . . 160.25 -35.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.08 -15.7 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 69.3 32.33 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.1 m-20 -92.92 114.81 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' HD2' ' A' ' 28' ' ' LYS . . . -66.55 -10.16 42.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -85.72 -53.81 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -76.15 -5.6 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.662 HD13 ' HA ' ' A' ' 16' ' ' TYR . 19.7 mt -85.5 -52.49 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HE3' HG11 ' A' ' 57' ' ' VAL . 3.4 ptmt -63.39 -24.37 67.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -71.99 -48.87 41.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.874 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.4 m-20 -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.741 ' CD1' HG12 ' A' ' 53' ' ' VAL . 8.6 t80 -55.02 -62.13 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' N ' ' HD1' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -56.03 -20.9 18.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -55.79 -72.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.67 ' CD ' HD11 ' A' ' 11' ' ' LEU . 1.5 pt-20 -73.21 -39.35 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.571 ' HB2' HD21 ' A' ' 11' ' ' LEU . 4.6 t -46.73 -24.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.552 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.4 OUTLIER -85.18 -60.55 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LEU . 26.6 mtpt -66.09 -63.74 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.653 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -40.12 -46.6 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.3 m-30 -116.94 49.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -77.29 -22.74 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.6 p -110.05 42.77 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.739 HG23 ' HD2' ' A' ' 43' ' ' PRO . 19.7 mm -117.67 143.07 31.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.505 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 2.1 t80 76.28 0.04 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -53.95 -65.07 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 36' ' ' LYS . 76.5 p -58.11 -30.8 66.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.456 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' C ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -64.23 -56.31 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.54 -29.78 70.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -49.14 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 108.309 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -25.07 41.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -83.78 4.05 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 33.6 t80 -112.76 -45.46 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.741 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.9 m -57.09 -17.27 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -136.04 69.34 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m 172.61 -34.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 8.9 mmtp -128.53 11.71 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.608 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -97.5 -45.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.653 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.93 -43.91 97.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.683 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.94 -55.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.576 HG21 ' CG2' ' A' ' 12' ' ' VAL . 11.1 mt -46.57 -55.23 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.112 HG23 ' CE2' ' A' ' 16' ' ' TYR . 9.0 mt -62.44 -21.31 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.683 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.32 -44.74 86.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.987 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -60.22 -60.63 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.956 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.61 -16.87 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.78 -31.7 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.35 -36.52 8.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.77 43.06 0.1 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.552 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.6 m -108.38 149.46 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.839 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -81.51 162.27 58.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.0 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.1 -25.22 11.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 69' ' ' ALA . 2.2 t -70.13 -54.97 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -70.82 67.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.655 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -178.77 -64.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.655 ' N ' HG22 ' A' ' 75' ' ' THR . 0.6 OUTLIER -74.74 -25.59 59.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.987 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -82.42 10.54 6.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . 70.9 m-20 38.98 33.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' OE1' ' CG1' ' A' ' 60' ' ' ILE . 17.9 pt-20 -95.73 -41.24 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.584 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -50.59 -48.88 81.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 108.272 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.532 1.806 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -95.33 102.06 13.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.31 -146.02 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.414 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.792 HD23 ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -75.45 -3.04 31.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -40.86 69.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.593 ' HB2' ' CA ' ' A' ' 80' ' ' CYS . 0.7 OUTLIER -58.77 -51.21 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.85 -50.55 18.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.606 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 15.0 mtt -47.4 -44.16 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.787 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.4 -29.99 66.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 108.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -82.88 -7.21 59.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 31' ' ' PHE . 35.4 tp -89.64 -46.27 8.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.571 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.2 m -64.56 -53.12 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.836 HG12 HD11 ' A' ' 64' ' ' LEU . 27.9 m -58.55 -58.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' H ' HG23 ' A' ' 13' ' ' VAL . 3.1 ttpt -45.52 -30.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 19' ' ' SER . 64.6 mmtt -81.01 -37.67 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.995 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -76.66 -67.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 111.076 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.8 pp20? -47.26 -36.23 8.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 17' ' ' GLU . . . -115.89 48.2 0.96 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.675 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -98.33 -52.65 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.29 -4.93 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 -14.74 14.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 47.32 43.81 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 15.1 t0 -125.36 117.11 23.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.24 -5.89 39.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 9.0 m-80 -88.02 -51.23 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.4 -9.24 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 31.2 mt -84.51 -67.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 31' ' ' PHE . 7.3 ptpp? -52.45 -34.97 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 18.2 mtpp -66.28 -43.16 87.14 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.36 -48.93 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.745 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.1 t80 -45.26 -53.83 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -23.77 63.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.4 -69.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 11' ' ' LEU . 16.6 tp10 -53.55 -28.29 30.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -46.16 51.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 7.4 mmtp -53.0 -19.97 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -107.03 -43.94 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.505 HD23 ' CE2' ' A' ' 39' ' ' PHE . 7.9 tp -64.46 -64.9 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.792 ' CE1' HD23 ' A' ' 4' ' ' LEU . 53.0 m-85 -88.71 33.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 111.051 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.592 ' CE1' ' CG2' ' A' ' 41' ' ' THR . 0.0 OUTLIER -67.67 -22.54 65.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.592 ' CG2' ' CE1' ' A' ' 40' ' ' HIS . 66.2 p -116.38 61.28 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.763 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.4 mt -146.01 143.65 19.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 106.57 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 77.03 -2.43 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.01 -45.15 51.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -70.95 -31.92 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.753 . . . . 0.0 110.428 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -65.54 -61.14 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -28.98 28.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.544 ' O ' HG13 ' A' ' 53' ' ' VAL . 2.3 m -61.55 -53.77 51.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.73 -12.33 33.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -104.91 2.71 30.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 109.565 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.606 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 43.3 t80 -107.79 -43.96 4.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.745 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.2 m -56.47 -18.28 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -133.66 54.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.2 m -164.52 -50.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -113.76 11.06 17.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG21 ' HA ' ' A' ' 53' ' ' VAL . 1.6 t -95.87 -50.44 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.641 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 t0 -47.76 -44.6 57.66 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.94 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.571 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.8 mt -48.32 -58.38 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.995 HG23 ' CE2' ' A' ' 16' ' ' TYR . 4.1 mt -58.82 -21.6 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.165 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.638 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -63.5 -34.26 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.955 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -79.32 -56.65 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.898 ' HG ' HG21 ' A' ' 73' ' ' VAL . 72.7 mt -45.07 -42.68 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 37.7 mt-10 -62.94 -39.68 95.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' GLU . . . -61.97 -37.31 94.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.58 -8.44 3.4 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.441 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 3.9 m -60.77 161.85 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.895 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -82.87 161.99 56.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.777 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.0 Cg_endo -75.07 -6.77 18.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 3.77 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 75' ' ' THR . 27.0 t70 -112.47 -29.61 7.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.955 HG22 ' HB3' ' A' ' 63' ' ' GLU . 54.7 t -45.62 -93.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.545 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.68 -47.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.716 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -38.01 -70.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.716 ' N ' HG22 ' A' ' 75' ' ' THR . 7.7 ptpt -67.71 -26.29 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -79.47 9.73 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' CYS . 2.3 m120 42.04 28.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 4.7 tm-20 -106.91 66.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.593 ' CA ' ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 169.43 -54.47 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 108.324 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.2 OUTLIER 176.12 46.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.027 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 177.53 -64.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' SER . 3.7 mm? -47.34 -59.04 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 71.1 p -37.1 -49.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -64.59 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.245 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -38.61 -52.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 44.5 mtt -50.82 -35.77 34.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.661 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -60.54 -33.65 72.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 108.334 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.561 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 4.3 tp10 -79.51 -8.5 59.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.022 HD11 ' HB3' ' A' ' 34' ' ' GLU . 36.7 tp -90.65 -40.17 12.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 11.5 m -73.4 -49.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.918 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -57.92 -58.8 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.598 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 60.0 mmtt -77.41 -39.53 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.982 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -75.31 -67.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.984 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' VAL . 8.3 mm-40 -39.56 -40.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.12 48.12 0.97 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.167 . . . . 0.0 111.011 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.8 p -80.97 -55.8 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.07 -7.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 21' ' ' ASP . 16.0 p-10 -114.96 -11.59 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.7 mmmt 47.52 62.06 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -144.75 120.63 10.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.97 -1.72 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -86.82 -46.84 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.6 t -78.74 -16.31 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 63.7 mt -77.2 -68.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -51.42 -34.12 33.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -67.79 -64.87 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.755 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 51.6 m-20 -41.98 -49.79 4.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.972 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.2 t80 -42.47 -57.78 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.453 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 7.4 t70 -53.73 -30.05 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.1 -52.85 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.022 ' HB3' HD11 ' A' ' 11' ' ' LEU . 39.6 tp10 -79.2 -7.64 58.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.609 ' HA ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -77.57 -50.78 11.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 108.355 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 3.2 mtpt -66.28 -27.42 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -81.6 -55.93 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' CE1' ' A' ' 39' ' ' PHE . 6.1 tt -63.11 -57.69 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 35' ' ' CYS . 9.1 m-85 -85.91 30.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.434 ' CE1' HG23 ' A' ' 41' ' ' THR . 1.1 p80 -58.41 -29.87 66.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.612 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.434 HG23 ' CE1' ' A' ' 40' ' ' HIS . 21.7 p -119.69 70.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.733 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.1 mt -147.6 142.94 17.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.733 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 99.7 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 43' ' ' PRO . 1.3 t80 76.3 0.86 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.38 -59.6 5.16 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.58 1.175 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.414 ' CB ' ' HE3' ' A' ' 36' ' ' LYS . 32.2 p -63.32 -39.98 96.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -36.05 61.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.26 -35.45 48.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.315 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -54.99 -41.82 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -38.37 87.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -85.88 12.46 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 44.7 t80 -111.07 -48.77 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 31.7 m -53.49 -19.78 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.42 69.82 1.44 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.58 -33.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 22.6 mttt -129.69 5.27 5.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -95.57 -45.2 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.639 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -50.59 -44.84 84.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -75.0 -56.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 9' ' ' CYS . 26.5 mt -45.32 -57.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.982 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -59.08 -23.19 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.603 ' CE1' ' CD ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -64.62 -46.04 84.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.636 ' HB3' HG22 ' A' ' 73' ' ' VAL . 1.7 mp0 -60.42 -51.26 70.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.918 HD11 HG12 ' A' ' 13' ' ' VAL . 24.3 mt -59.86 -37.61 79.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.5 -50.01 75.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.01 -45.16 96.68 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.82 43.14 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.807 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.7 m -113.74 131.09 56.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -56.46 162.53 3.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.95 -15.64 20.75 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.07 3.58 53.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -107.55 -32.24 7.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 69' ' ' ALA . 2.3 t -68.64 -46.99 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.223 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.9 m -79.58 67.4 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -176.98 -58.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 75' ' ' THR . 1.2 mttt -75.58 -26.53 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -85.37 10.85 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.242 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.78 34.04 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' CG ' ' HA ' ' A' ' 74' ' ' CYS . 18.4 pt-20 -109.16 12.72 24.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.46 ' CB ' ' HB3' ' A' ' 74' ' ' CYS . 33.8 t -177.34 96.16 0.23 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 108.307 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t 179.09 130.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.35 -153.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.643 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -41.1 -38.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -40.7 -56.84 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' CYS . 7.2 t -52.2 -65.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' GLU . 8.6 tp60 -43.05 -55.23 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.595 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 14.6 mtt -49.83 -27.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -66.66 -33.29 75.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 22.1 tt0 -79.23 -8.74 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.959 HD23 ' CE2' ' A' ' 31' ' ' PHE . 65.0 tp -89.52 -43.96 10.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.719 HG11 HG23 ' A' ' 57' ' ' VAL . 17.9 m -67.29 -51.84 48.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.781 HG12 HD11 ' A' ' 64' ' ' LEU . 33.9 m -59.13 -57.4 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -46.05 -31.1 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 27.6 mmtt -82.34 -37.68 25.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.02 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -73.13 -66.29 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' A' ' 64' ' ' LEU . 12.3 mm-40 -45.2 -42.75 9.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.17 51.48 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.721 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -88.74 -48.92 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 110.045 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 87.1 58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER 162.12 -26.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt 66.07 48.09 1.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' HB2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -113.18 111.37 21.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.33 -7.4 18.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -56.1 3.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.258 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 23' ' ' ASP . 1.9 t -73.69 -7.07 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.597 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 47.1 mt -86.76 -76.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 27' ' ' ILE . 5.1 ptpp? -42.15 -38.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -64.97 -46.78 80.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.615 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -50.75 -52.13 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.959 ' CE2' HD23 ' A' ' 11' ' ' LEU . 3.4 t80 -44.31 -52.14 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.11 -31.79 70.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.91 -69.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.598 1.186 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.582 ' HB3' HD11 ' A' ' 11' ' ' LEU . 6.1 tp10 -47.34 -60.1 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.76 ' HA ' HD23 ' A' ' 38' ' ' LEU . 49.0 t -45.38 -56.61 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 4.2 mmtp -39.62 -29.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -99.18 -54.88 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -48.63 -44.4 37.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.784 ' CD2' HD12 ' A' ' 42' ' ' ILE . 4.5 m-30 -116.85 46.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.702 ' CE1' HG23 ' A' ' 41' ' ' THR . 26.9 p-80 -67.3 -34.25 76.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.702 HG23 ' CE1' ' A' ' 40' ' ' HIS . 32.3 p -77.74 -44.92 26.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.784 HD12 ' CD2' ' A' ' 39' ' ' PHE . 3.5 mt -49.64 142.41 12.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.08 -94.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 17.1 p90 -50.61 -26.05 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.997 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.555 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -35.07 -61.92 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.6 p -59.04 -38.67 79.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.373 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 8.3 mtt180 -64.57 -58.93 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.44 -39.34 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.571 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -63.23 -42.47 99.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -5.29 36.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 1.85 15.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 66.8 t80 -101.82 -40.63 6.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.747 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -56.68 -17.29 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.04 64.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 m -175.05 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.5 mttt -128.8 10.06 5.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.719 HG23 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -95.07 -47.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.637 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.11 -44.56 80.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -57.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.481 1.78 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.832 HG23 HG11 ' A' ' 73' ' ' VAL . 23.6 mt -44.61 -59.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.02 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.13 -23.49 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -68.58 -25.4 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.631 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.948 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -76.55 -51.35 11.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.345 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.899 HD23 ' O ' ' A' ' 68' ' ' THR . 6.5 mt -64.91 -27.91 69.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.74 -48.03 70.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.86 -56.21 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.899 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.4 m -115.38 135.81 53.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 1.049 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -65.87 170.58 4.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.662 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.03 -20.54 16.7 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -7.78 38.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 68' ' ' THR . 4.3 m-20 -98.01 -37.53 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 69' ' ' ALA . 61.0 t -50.09 -54.32 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.547 ' HA ' ' HG3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.76 54.82 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 108.241 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -145.43 -56.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' N ' HG22 ' A' ' 75' ' ' THR . 11.2 ptmt -82.82 -25.79 32.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 77' ' ' LEU . 5.2 mt -77.33 1.21 19.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.7 16.75 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.395 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.547 ' HG3' ' HA ' ' A' ' 74' ' ' CYS . 1.4 pp20? -99.82 56.86 0.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 74' ' ' CYS . 0.2 OUTLIER 166.12 150.52 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.451 1.763 . . . . 0.0 111.044 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.9 OUTLIER 79.03 50.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.95 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.05 -83.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.679 HD11 ' CE2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -74.09 -37.93 64.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -51.02 -39.93 57.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.0 t -70.08 -58.88 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLU . 3.8 mt-30 -50.46 -55.02 17.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.082 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.599 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 8.8 mtt -47.65 -43.46 26.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.623 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 t -58.68 -30.7 67.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.0 mt-10 -79.46 -8.83 59.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.908 HD23 ' CD2' ' A' ' 31' ' ' PHE . 62.9 tp -91.06 -40.05 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.682 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.0 m -72.73 -46.95 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.94 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -61.81 -59.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.366 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.1 tttp -45.11 -32.07 1.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 42.8 mmtt -78.13 -40.46 37.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.1 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.18 -71.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 2.4 pp20? -40.82 -36.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.4 46.59 1.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.618 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.53 -51.34 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 78.08 0.65 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.96 -11.57 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 44.82 50.5 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.565 ' OD2' HG23 ' A' ' 26' ' ' VAL . 11.2 t0 -135.47 107.7 7.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.83 -10.69 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -81.1 -50.22 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG23 ' OD2' ' A' ' 23' ' ' ASP . 2.5 t -76.72 -7.69 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.6 mt -88.98 -65.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.635 ' HB3' HG11 ' A' ' 57' ' ' VAL . 5.9 ptpp? -51.43 -40.13 58.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.6 mtpp -65.21 -47.51 76.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.725 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -49.44 -52.35 29.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.908 ' CD2' HD23 ' A' ' 11' ' ' LEU . 6.3 t80 -44.73 -56.35 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.672 ' HB2' HG11 ' A' ' 53' ' ' VAL . 47.9 t0 -60.03 -22.91 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -71.0 -63.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.632 ' HB3' HD11 ' A' ' 11' ' ' LEU . 11.4 tp10 -56.0 -47.08 78.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.782 ' HA ' HD23 ' A' ' 38' ' ' LEU . 38.4 t -58.53 -48.16 81.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 3.5 mmtp -40.82 -37.47 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.55 -54.67 3.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.615 1.197 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.782 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -45.69 -47.03 15.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CE2' HD11 ' A' ' 4' ' ' LEU . 3.9 m-30 -117.73 42.78 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.445 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.06 -23.18 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' ILE . 38.3 p -90.81 -44.76 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.687 HG23 ' HD2' ' A' ' 43' ' ' PRO . 27.5 mm -38.91 141.9 0.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.09 -51.07 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 1.1 p90 -107.87 33.17 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.644 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -91.05 -53.34 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 p -71.8 -32.34 67.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 4.6 mmm180 -68.99 -58.24 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.238 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -62.0 -31.24 71.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.591 ' O ' HG13 ' A' ' 53' ' ' VAL . 3.2 m -65.04 -51.99 58.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.41 -14.43 40.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -104.48 1.32 29.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.575 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 67.5 t80 -103.57 -41.15 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.754 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.5 m -56.46 -17.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -137.16 69.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t 179.53 -35.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.948 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 60' ' ' ILE . 40.3 mttt -131.84 10.27 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.639 HG21 ' HA ' ' A' ' 53' ' ' VAL . 2.1 t -96.81 -44.45 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -52.62 -44.76 95.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.696 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -74.94 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.682 HG21 ' CG2' ' A' ' 12' ' ' VAL . 18.7 mt -44.89 -54.86 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.1 HG23 ' CE2' ' A' ' 16' ' ' TYR . 48.0 mt -59.18 -25.54 30.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.696 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.971 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -87.35 -43.57 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.94 HD11 HG12 ' A' ' 13' ' ' VAL . 17.1 mt -65.89 -41.44 91.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -68.35 -32.9 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.31 -48.79 49.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.21 -24.29 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 63' ' ' GLU . 29.1 m -54.12 149.9 8.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 1.011 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.49 166.98 24.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.672 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -75.05 -1.06 10.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.57 4.84 12.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -114.85 -38.09 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 69' ' ' ALA . 21.3 t -40.84 -56.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.357 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.482 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -78.22 70.33 4.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.738 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -176.58 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.738 ' N ' HG22 ' A' ' 75' ' ' THR . 11.2 ptpt -77.14 -40.69 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.396 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.971 HD22 ' HG2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -56.0 -16.61 5.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 44.7 t30 77.76 56.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' N ' ' HD2' ' A' ' 81' ' ' PRO . 4.3 mm-40 -105.73 -72.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.607 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 3.0 m -55.6 -47.46 98.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.389 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.432 ' CZ ' ' O ' ' A' ' 1' ' ' ARG . 5.1 ttp85 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 3.3 p -179.81 46.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 169.27 -74.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 3' ' ' ALA . 2.3 mm? -39.32 -62.51 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -40.24 -57.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 9' ' ' CYS . 12.6 t -52.97 -68.29 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.166 . . . . 0.0 108.278 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 10' ' ' GLU . 1.1 mp0 -40.31 -56.59 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.611 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 50.8 mtt -45.56 -29.17 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.608 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -66.32 -44.6 82.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.218 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 mt-10 -66.59 -8.7 28.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.982 HD23 ' CE2' ' A' ' 31' ' ' PHE . 63.3 tp -91.34 -51.79 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG11 HG23 ' A' ' 57' ' ' VAL . 11.4 m -62.94 -47.56 92.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.91 HG12 HD11 ' A' ' 64' ' ' LEU . 18.9 m -59.54 -57.49 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.604 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.1 tttp -43.48 -35.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' SER . 30.5 mmtt -78.06 -40.53 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.144 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.83 -71.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 111.015 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.644 ' HG2' HD13 ' A' ' 64' ' ' LEU . 6.7 mm-40 -40.43 -37.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.79 46.87 1.07 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.668 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -84.43 -51.02 7.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.971 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.2 -8.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -114.99 -14.5 11.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? 48.72 67.88 0.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.586 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -150.83 116.0 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.9 -8.83 24.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 12.3 t-20 -81.39 -50.06 9.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -76.61 -9.55 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.69 HG21 ' HB2' ' A' ' 16' ' ' TYR . 57.4 mt -89.84 -68.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.525 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -45.66 -43.48 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.2 mtpp -64.34 -53.7 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 12.6 m-20 -46.19 -55.22 7.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.982 ' CE2' HD23 ' A' ' 11' ' ' LEU . 3.1 t80 -41.15 -52.07 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.94 -38.05 78.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.98 -50.61 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HB3' HD11 ' A' ' 11' ' ' LEU . 8.8 tp10 -71.07 -63.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -39.51 -33.84 0.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 108.253 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' HIS . 10.6 mmtm -59.69 -77.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -27.33 61.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.622 HD22 ' CD1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.46 -56.25 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.667 ' CG ' HD12 ' A' ' 42' ' ' ILE . 14.7 m-30 -119.02 50.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.69 ' CD2' HG23 ' A' ' 41' ' ' THR . 4.2 p80 -65.8 -43.69 87.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' CD2' ' A' ' 40' ' ' HIS . 23.7 p -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.667 HD12 ' CG ' ' A' ' 39' ' ' PHE . 1.3 mt -50.66 141.07 18.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.99 -86.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.803 . . . . 0.0 111.024 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -69.87 -0.86 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.58 -62.41 6.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -60.4 -31.76 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.11 -52.29 65.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -36.71 77.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.409 ' O ' HG13 ' A' ' 53' ' ' VAL . 89.5 m -58.38 -46.63 85.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.23 -17.49 62.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.25 8.11 43.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.642 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.611 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 38.7 t80 -108.14 -34.86 6.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.587 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 10.7 m -65.76 -10.95 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -141.19 63.13 1.45 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -176.0 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.503 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.3 mmtp -133.91 17.49 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.571 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.65 -24.24 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.663 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.39 -42.92 2.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -74.98 -51.74 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 9' ' ' CYS . 16.9 mt -49.57 -43.67 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.144 HG23 ' CE2' ' A' ' 16' ' ' TYR . 78.4 mt -72.69 -20.55 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.703 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.55 -21.41 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.579 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.819 ' HB3' HG22 ' A' ' 73' ' ' VAL . 2.6 mm-40 -84.29 -48.06 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.91 HD11 HG12 ' A' ' 13' ' ' VAL . 7.8 mt -66.05 -35.53 80.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 1.4 pp20? -75.34 -28.6 59.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.14 -45.06 12.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.19 -20.89 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.711 HG21 ' OE2' ' A' ' 63' ' ' GLU . 1.9 m -59.71 146.77 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -78.64 167.94 31.15 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.696 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.6 Cg_endo -74.94 -6.66 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.74 -2.14 18.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.561 ' CB ' HG23 ' A' ' 68' ' ' THR . 0.8 OUTLIER -103.4 -32.36 9.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -57.18 -47.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.438 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -74.88 59.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 108.265 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 173.23 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.68 63.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.581 HD11 ' CE1' ' A' ' 62' ' ' HIS . 4.2 mt -89.36 22.39 2.93 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 m120 54.65 19.24 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -56.56 -72.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 74' ' ' CYS . 1.5 m -42.19 163.46 0.13 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.351 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.462 1.77 . . . . 0.0 111.007 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 2' ' ' SER . 7.1 ptp85 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 1' ' ' ARG . 37.9 m -68.84 104.33 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.6 -140.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.009 HD23 ' N ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -63.37 -13.13 36.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 1.009 ' N ' HD23 ' A' ' 4' ' ' LEU . 7.3 t -66.73 -49.02 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -56.94 -58.91 6.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 108.284 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -43.6 -51.98 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.522 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 16.5 mtt -47.61 -33.9 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.695 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -63.25 -38.1 89.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 108.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' HG22 ' A' ' 13' ' ' VAL . 7.1 tt0 -74.58 -5.93 45.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.011 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.0 tp -92.9 -39.36 11.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.605 HG11 ' CG2' ' A' ' 57' ' ' VAL . 10.1 m -73.64 -47.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.732 HG12 HD11 ' A' ' 64' ' ' LEU . 34.6 m -64.08 -59.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.613 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.7 ttpp -43.89 -36.17 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 69.1 mmtt -77.33 -38.33 50.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.191 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.1 t80 -76.84 -72.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' VAL . 2.5 pp20? -42.0 -30.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.64 40.37 2.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.5 p -78.56 -54.81 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.925 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.51 -6.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 1.1 p-10 -113.09 -18.57 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 2.9 mmmt 53.8 63.58 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.6 t0 -147.68 107.08 3.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -13.83 26.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.435 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 t30 -79.69 -38.24 33.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.23 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 23' ' ' ASP . 4.1 t -87.03 -7.81 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.881 HG21 ' HB2' ' A' ' 16' ' ' TYR . 68.9 mt -91.89 -59.88 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.713 ' CB ' HG11 ' A' ' 57' ' ' VAL . 3.9 ptpp? -53.77 -44.52 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.1 mtpp -67.08 -47.64 70.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.716 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.7 m-20 -48.95 -52.57 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.011 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.0 t80 -43.69 -56.4 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.424 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 44.4 t0 -49.19 -37.81 23.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -50.48 -56.98 9.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.617 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.7 tp10 -71.17 -56.23 6.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.588 ' SG ' ' CD2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -39.36 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 108.358 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' N ' ' C ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -68.86 -77.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -16.6 15.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.758 HD23 ' CE2' ' A' ' 39' ' ' PHE . 14.4 tp -77.84 -75.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.758 ' CE2' HD23 ' A' ' 38' ' ' LEU . 7.5 m-85 -93.09 31.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.566 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -49.27 -58.92 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.666 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 41' ' ' THR . 9.2 t -87.72 71.53 9.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mt -149.3 141.59 15.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.221 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 112.56 3.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.561 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.66 0.59 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' CA ' HG22 ' A' ' 42' ' ' ILE . . . -57.3 -63.11 5.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.7 p -61.14 -26.79 67.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.49 -44.37 78.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.24 -34.33 65.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' O ' HG13 ' A' ' 53' ' ' VAL . 73.6 m -51.07 -46.03 61.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 108.215 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -76.49 -25.11 53.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -89.67 14.08 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 20.3 t80 -117.41 -42.74 2.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.8 m -78.81 53.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 51.9 t30 175.43 40.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.1 t 177.62 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -111.95 -1.19 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.713 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -99.11 -23.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -77.24 -44.45 2.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.625 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.99 -51.19 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.539 ' CG2' ' CG1' ' A' ' 13' ' ' VAL . 15.7 mt -48.26 -47.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.191 HG23 ' CE2' ' A' ' 16' ' ' TYR . 77.1 mt -67.84 -23.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.716 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.54 -17.26 62.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.568 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.982 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.07 -51.09 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD11 HG12 ' A' ' 13' ' ' VAL . 2.5 mt -65.29 -40.0 93.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 65' ' ' GLU . 1.3 pp20? -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.78 -55.4 9.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.09 43.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.568 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.4 m -123.17 140.34 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -67.88 163.41 50.19 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.613 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -74.99 -11.64 21.49 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -2.2 29.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.519 ' HB3' HG23 ' A' ' 68' ' ' THR . 7.0 t0 -102.98 -37.13 7.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 69' ' ' ALA . 4.0 t -51.99 -55.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -78.14 66.23 3.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 108.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -164.83 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.624 ' N ' HG22 ' A' ' 75' ' ' THR . 1.7 mttm -82.82 -17.61 43.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.982 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.0 mm? -83.07 -5.84 59.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.91 28.87 5.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 11.7 pt-20 -122.17 53.68 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER 166.66 156.09 0.11 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.255 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.51 1.795 . . . . 0.0 111.036 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.6 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.739 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.0 m 93.82 -154.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 159.42 -65.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.678 HD12 ' HG3' ' A' ' 8' ' ' MET . 0.1 OUTLIER -65.16 -23.21 67.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.225 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -34.67 69.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.69 -67.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.62 -57.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.678 ' HG3' HD12 ' A' ' 4' ' ' LEU . 21.9 mtt -51.24 -38.96 55.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -66.35 -37.13 84.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.262 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 3.8 mt-10 -74.36 -4.75 38.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.2 tp -93.06 -48.33 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.894 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.5 m -64.09 -44.82 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.135 HG12 HD11 ' A' ' 64' ' ' LEU . 34.4 m -64.11 -58.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.58 1.175 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.588 ' N ' HG23 ' A' ' 13' ' ' VAL . 5.5 ttpt -43.98 -32.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 19' ' ' SER . 56.1 mmtt -81.27 -39.92 24.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.979 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -72.24 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' VAL . 30.7 mm-40 -46.28 -38.3 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.49 50.17 0.8 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -104.14 -43.46 5.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 0.802 . . . . 0.0 109.955 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 66.03 10.35 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -119.6 -10.61 9.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mptt 42.51 42.47 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -121.78 115.69 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.388 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.36 -3.24 25.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 m120 -88.93 -46.35 8.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -83.29 -7.04 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.579 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 60.3 mt -90.56 -53.25 9.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.5 ptpp? -64.2 -33.0 74.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 18.0 mtpp -69.25 -51.68 35.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -49.01 -49.11 42.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 11' ' ' LEU . 2.0 t80 -47.46 -55.05 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 8.5 t0 -55.84 -21.16 18.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.35 -56.55 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.722 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.6 tp10 -83.53 16.45 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 6.5 t -117.4 -42.35 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.512 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.1 OUTLIER -63.29 -57.06 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -68.72 -33.43 73.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -59.8 -56.51 20.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CE2' HD21 ' A' ' 4' ' ' LEU . 4.4 m-30 -122.92 57.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 2.7 t60 -68.08 -59.73 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' ILE . 5.2 t -52.62 -41.86 64.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.684 HG23 ' HD2' ' A' ' 43' ' ' PRO . 2.4 mm -38.29 141.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.598 1.186 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.684 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.92 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 11.6 p90 -107.51 30.92 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.662 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -87.56 -75.63 1.28 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 36' ' ' LYS . 47.8 p -57.42 -34.71 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 110.444 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -60.33 -49.24 78.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -69.83 -37.35 76.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 76.5 m -49.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.24 -27.66 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -87.77 9.52 21.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.625 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.637 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 23.8 t80 -114.57 -48.02 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.595 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 12.1 m -55.94 -22.41 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.232 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -134.36 58.29 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -172.51 -41.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.3 mptt -124.63 15.48 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.59 -46.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -51.45 -44.88 90.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.5 Cg_endo -74.89 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.894 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.5 mt -45.64 -58.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.979 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.28 -22.84 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.22 -52.84 52.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.922 ' OE1' HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.19 -49.91 68.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.135 HD11 HG12 ' A' ' 13' ' ' VAL . 39.1 mt -59.82 -40.57 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.7 -56.48 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.91 -45.55 86.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.84 44.9 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.688 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.0 m -111.41 138.12 48.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.905 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -57.02 161.95 4.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.449 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.1 Cg_endo -74.97 -12.03 21.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -99.92 -20.82 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HB3' HG23 ' A' ' 68' ' ' THR . 1.4 m-20 -79.37 -28.89 41.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.8 t -66.97 -48.05 80.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 62.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -179.58 -51.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.612 ' C ' HD23 ' A' ' 77' ' ' LEU . 6.3 mttm -59.17 -44.81 92.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.922 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.18 34.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.484 ' ND2' HH21 ' A' ' 1' ' ' ARG . 9.8 m-20 41.49 33.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.402 ' OE2' HG13 ' A' ' 60' ' ' ILE . 1.1 mt-10 -80.24 6.11 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.451 ' SG ' ' HD2' ' A' ' 81' ' ' PRO . 11.6 t -163.76 137.31 4.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 108.363 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HD2' ' SG ' ' A' ' 80' ' ' CYS . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 5' ' ' SER . 3.1 tmt_? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.588 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 75.6 p -167.19 43.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.951 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 169.95 -64.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.93 -21.62 61.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 1' ' ' ARG . 0.3 OUTLIER -70.23 -36.23 74.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.54 ' CB ' ' HA ' ' A' ' 80' ' ' CYS . 43.4 t -59.64 -58.13 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -46.27 -50.56 15.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.585 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 64.3 mtt -47.19 -38.72 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.611 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -59.28 -35.65 74.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 108.257 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 mt-10 -78.52 -6.96 56.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.936 HD23 ' CD2' ' A' ' 31' ' ' PHE . 67.8 tp -89.4 -48.59 7.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.614 ' CG2' HG21 ' A' ' 60' ' ' ILE . 16.8 m -63.63 -51.65 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.035 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -58.0 -58.29 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.602 ' N ' HG23 ' A' ' 13' ' ' VAL . 6.4 ttpt -44.33 -32.45 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 13.4 mmtt -78.66 -41.72 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.953 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.59 -66.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.996 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.5 mm-40 -40.48 -41.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.27 42.8 1.8 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.711 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.1 p -72.69 -51.11 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 85.27 -13.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -115.65 -28.83 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 66.07 62.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.663 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -144.06 115.59 8.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.361 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -10.76 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 2.2 m-20 -80.12 -42.29 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -83.43 -7.74 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.575 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.0 mt -91.76 -65.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.625 ' HB3' HG11 ' A' ' 57' ' ' VAL . 6.1 ptmt -49.89 -40.2 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 13.2 mtpp -69.43 -56.39 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.778 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.8 m-20 -42.43 -53.59 4.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.936 ' CD2' HD23 ' A' ' 11' ' ' LEU . 12.0 t80 -43.03 -63.41 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 12.0 t70 -44.73 -34.88 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -60.05 -57.46 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.6 tp10 -88.07 27.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.639 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.4 t -120.85 -56.42 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 5.5 mttt -65.74 -37.22 85.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -76.01 -42.55 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -70.29 -58.13 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.705 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 54.6 m-85 -87.24 24.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.51 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -58.11 -18.36 24.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.691 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' ILE . 22.7 p -89.27 -56.42 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' THR . 3.9 mm -28.94 139.88 0.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.548 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.07 102.34 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.2 m-85 75.67 -2.52 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.47 -42.34 9.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.117 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' CD ' ' A' ' 36' ' ' LYS . 70.6 p -51.73 -47.18 64.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -52.57 -38.61 60.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -72.59 -35.52 67.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.66 -58.06 9.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.315 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.4 -28.22 68.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.18 -0.68 41.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 109.611 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 7.9 t80 -101.99 -29.62 11.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.2 m -90.31 34.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -179.22 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.55 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 2.9 mmtp -117.03 -5.47 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.625 HG11 ' HB3' ' A' ' 28' ' ' LYS . 1.7 t -97.39 -47.76 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -51.87 -43.73 89.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.0 Cg_endo -75.05 -56.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.614 HG21 ' CG2' ' A' ' 12' ' ' VAL . 17.3 mt -45.4 -58.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.953 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.7 mt -59.61 -22.33 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.13 -30.53 71.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.787 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -83.47 -57.86 3.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.035 ' CD1' HG12 ' A' ' 13' ' ' VAL . 4.7 mt -51.3 -46.47 62.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -61.56 -37.97 85.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.31 -27.15 72.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.3 -2.06 6.64 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 72' ' ' ASP . 3.0 m -70.51 158.17 36.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.907 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.08 163.87 41.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.705 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.97 -0.91 10.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -110.85 -8.21 14.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.446 ' HB2' HG23 ' A' ' 68' ' ' THR . 64.3 m-20 -99.52 -33.98 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 69' ' ' ALA . 17.3 t -59.4 -52.79 56.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -77.0 70.52 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 175.03 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -75.32 -46.45 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' CD1' ' OE1' ' A' ' 63' ' ' GLU . 10.6 mt -87.18 17.45 4.29 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 49.55 39.68 17.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.726 ' OE2' HG12 ' A' ' 73' ' ' VAL . 12.3 pt-20 -113.03 65.95 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.54 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER 179.45 63.05 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 108.331 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 80' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t 65.33 102.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.955 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.83 -153.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.825 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -67.33 -9.73 44.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -44.93 -33.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 9' ' ' CYS . 4.6 t -57.38 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.7 mt-30 -39.63 -53.05 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.625 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 30.8 mtt -45.29 -36.31 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.655 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -62.75 -41.34 99.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 108.237 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.569 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.8 mt-10 -69.64 -6.32 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 34' ' ' GLU . 24.0 tp -94.06 -39.79 10.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.505 HG11 ' CG2' ' A' ' 57' ' ' VAL . 7.0 m -74.49 -43.17 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.969 HG12 HD11 ' A' ' 64' ' ' LEU . 34.2 m -65.58 -60.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.628 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.45 -32.13 2.03 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.526 ' O ' ' CB ' ' A' ' 19' ' ' SER . 33.7 mmtt -80.7 -34.86 34.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.136 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -78.17 -69.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 111.0 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 13' ' ' VAL . 1.2 pp20? -60.5 -16.9 41.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.27 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 30.51 5.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.123 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.698 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -82.65 -54.39 5.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 0.759 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.46 -6.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 7.0 p-10 -109.82 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 5.1 mmtt 58.74 65.28 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.611 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -149.17 109.39 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -60.75 -12.62 11.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.14 -55.75 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -72.42 -4.97 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.581 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 65.8 mt -88.67 -67.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.684 ' HB3' HG11 ' A' ' 57' ' ' VAL . 8.5 ptmt -51.46 -37.64 49.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -66.93 -48.2 69.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.767 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -49.64 -53.35 24.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.704 ' CD1' HG12 ' A' ' 53' ' ' VAL . 5.7 t80 -43.55 -58.05 2.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.29 -28.8 3.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.32 -61.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.654 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.6 tp10 -83.45 25.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.611 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 13.6 t -123.64 -47.66 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 108.343 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -63.87 -38.29 90.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.71 -36.45 21.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.504 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.3 tp -65.91 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CD2' ' SG ' ' A' ' 35' ' ' CYS . 14.5 m-85 -88.99 27.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -55.33 -51.38 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.616 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 43.1 p -55.17 -46.76 75.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.727 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.7 mt -43.78 142.94 1.8 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -106.69 32.83 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.609 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -85.45 -55.1 2.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.7 p -59.72 -41.96 92.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.761 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -60.16 -42.67 95.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.19 -28.73 62.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 84.4 m -55.05 -66.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.18 -26.48 60.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.2 0.29 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 37.6 t80 -112.42 -49.33 2.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.704 HG12 ' CD1' ' A' ' 31' ' ' PHE . 3.8 m -52.93 -21.04 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -137.54 70.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.6 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.526 1.142 . . . . 0.0 109.975 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 7.7 mmtt -127.91 3.73 5.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 28' ' ' LYS . 2.1 t -97.11 -43.67 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -54.6 -44.19 98.86 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.676 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.5 Cg_endo -75.03 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 56' ' ' LYS . 21.3 mt -45.79 -54.08 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.136 HG23 ' CE2' ' A' ' 16' ' ' TYR . 13.8 mt -61.6 -23.82 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.218 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.676 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.24 -46.84 82.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.544 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.776 ' HG2' HD21 ' A' ' 77' ' ' LEU . 1.2 tp10 -60.48 -52.36 65.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.301 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.969 HD11 HG12 ' A' ' 13' ' ' VAL . 6.0 mt -57.56 -35.69 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.438 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 4.8 mt-10 -64.76 -25.02 67.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.06 -24.32 45.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.4 2.42 7.57 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.67 ' O ' HD23 ' A' ' 64' ' ' LEU . 1.8 m -70.76 141.3 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.402 0.707 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.893 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -68.52 163.37 54.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 -21.02 16.39 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -96.48 3.19 52.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.585 ' HB3' HG23 ' A' ' 68' ' ' THR . 7.5 t0 -105.9 -32.0 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 69' ' ' ALA . 4.1 t -63.38 -42.74 97.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 80' ' ' CYS . 0.2 OUTLIER -80.81 66.75 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.542 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER 174.38 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.542 ' N ' HG22 ' A' ' 75' ' ' THR . 0.9 OUTLIER -59.56 -36.29 75.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 73' ' ' VAL . 4.0 mm? -70.52 -6.33 35.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.36 29.49 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.384 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -93.95 -86.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.309 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 7.9 t -63.1 139.43 97.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.405 1.739 . . . . 0.0 110.964 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.701 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.6 OUTLIER -117.91 25.7 10.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 162.3 -50.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.741 HD12 ' CE1' ' A' ' 39' ' ' PHE . 3.5 mm? -43.79 -56.59 3.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.481 ' HB3' ' CD ' ' A' ' 81' ' ' PRO . 2.7 t -37.95 -37.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.967 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -54.68 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' GLU . 9.4 tp60 -45.74 -51.18 12.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.642 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 31.9 mtt -46.08 -46.17 16.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.521 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -57.82 -32.15 67.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 108.243 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 18.6 mt-10 -82.43 -3.23 55.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.908 HD23 ' CE2' ' A' ' 31' ' ' PHE . 61.5 tp -93.46 -44.27 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' A' ' 60' ' ' ILE . 24.5 m -65.94 -37.55 80.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.22 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.027 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -67.68 -58.97 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.626 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -46.92 -31.81 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.527 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.8 mmtt -81.56 -40.41 23.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.925 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.01 -68.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.056 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' VAL . 50.1 mm-40 -43.73 -42.9 5.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.26 46.86 1.1 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.706 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -81.14 -49.66 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 58.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 162.83 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.71 62.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.361 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.61 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -135.07 102.67 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -52.03 -18.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 23' ' ' ASP . 78.0 m-20 -72.58 -54.67 8.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.61 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -72.44 -6.96 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 93.0 mt -90.75 -73.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HB3' HG11 ' A' ' 57' ' ' VAL . 9.0 ptmt -42.18 -39.64 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 10.2 mtpp -69.99 -45.73 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.185 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.716 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 3.3 m-20 -52.47 -49.68 64.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.908 ' CE2' HD23 ' A' ' 11' ' ' LEU . 1.9 t80 -48.45 -50.15 32.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.61 -25.17 37.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.47 -74.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.848 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.3 tp10 -50.11 -28.08 6.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 39' ' ' PHE . 4.1 t -73.97 -37.66 64.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 108.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.26 -0.78 23.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -115.77 -49.81 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.38 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -80.14 -48.64 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.741 ' CE1' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.53 7.09 8.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -52.9 63.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.659 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -54.94 -18.98 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.513 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 11.6 mm -79.24 140.96 57.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.03 -66.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.508 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -85.81 5.88 30.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' CA ' ' CD2' ' A' ' 39' ' ' PHE . . . -59.54 -76.41 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 46' ' ' THR . 75.8 p -38.49 -34.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.751 . . . . 0.0 110.415 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -65.61 -50.45 65.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -68.79 -26.09 65.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.1 m -53.5 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.276 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.79 -24.63 36.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -83.05 0.9 42.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.634 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 18.2 t80 -113.21 -48.93 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.764 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.6 m -54.52 -18.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 55' ' ' SER . 6.9 m-20 -136.77 72.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER 165.81 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 13.2 mttp -132.41 9.5 4.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -97.81 -49.56 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -49.69 -43.56 73.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.703 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -56.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.796 HG21 HG21 ' A' ' 12' ' ' VAL . 10.0 mt -45.87 -59.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.925 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -58.67 -20.52 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.384 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.703 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.56 -29.06 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.713 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -82.65 -58.97 2.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.027 ' CD1' HG12 ' A' ' 13' ' ' VAL . 6.2 mt -50.98 -44.68 60.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.58 -31.91 73.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.53 64.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.34 -14.79 1.86 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.456 ' OG1' ' OE2' ' A' ' 63' ' ' GLU . 1.9 m -61.67 154.48 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.948 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -80.12 169.38 20.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.942 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.98 -15.26 20.88 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 14.45 23.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 81.3 m-20 -124.77 -0.38 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 69' ' ' ALA . 41.1 t -89.31 -38.85 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 79' ' ' GLU . 1.7 m -71.06 -6.54 39.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -114.65 -19.67 11.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.476 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.758 ' HG3' HD23 ' A' ' 77' ' ' LEU . 6.1 tptt -67.51 -70.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.758 HD23 ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -86.33 32.99 0.62 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 37.62 31.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 8.3 mm-40 -51.37 -68.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.22 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.2 t -51.14 106.93 0.71 Allowed Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.481 ' CD ' ' HB3' ' A' ' 5' ' ' SER . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.421 1.748 . . . . 0.0 111.029 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 80' ' ' CYS . 9.1 t -74.63 85.03 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.44 -64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 39' ' ' PHE . 1.9 mm? -100.02 -60.44 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -35.02 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.573 ' CB ' ' HA ' ' A' ' 80' ' ' CYS . 37.2 t -68.95 -76.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 108.331 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -39.49 -51.9 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.593 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 54.2 mtt -47.14 -40.57 15.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 1.168 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.66 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -58.99 -33.42 70.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.342 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' HA ' HG22 ' A' ' 13' ' ' VAL . 31.5 tt0 -79.94 -6.07 56.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 31' ' ' PHE . 53.2 tp -91.19 -44.27 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 57' ' ' VAL . 16.5 m -68.01 -50.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 HD11 ' A' ' 64' ' ' LEU . 33.5 m -60.9 -59.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.606 ' N ' HG23 ' A' ' 13' ' ' VAL . 11.9 ttpt -44.67 -34.31 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' SER . 32.3 mmtt -77.13 -41.05 43.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.976 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.56 -71.95 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.7 mm-40 -36.91 -41.36 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.13 52.94 0.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.602 1.189 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.673 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -92.27 -45.9 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 110.004 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.23 -7.94 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -114.34 -22.15 10.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 2.4 mppt? 52.26 66.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.587 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -148.03 116.59 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -8.6 26.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.5 m-20 -82.87 -49.43 9.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -79.37 -10.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.693 HG21 ' HB2' ' A' ' 16' ' ' TYR . 62.9 mt -89.8 -74.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.0 ptmt -39.32 -44.82 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 14.0 mtpp -65.1 -52.47 55.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.8 m-20 -45.25 -55.28 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.77 ' O ' HD21 ' A' ' 11' ' ' LEU . 3.6 t80 -41.75 -52.1 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -51.8 -46.82 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.21 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.741 ' CB ' HD11 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -45.45 -44.59 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.618 ' SG ' ' CD2' ' A' ' 11' ' ' LEU . 24.9 m -55.81 -42.76 76.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.8 mtpt -74.71 -0.18 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.89 -47.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -100.17 -48.55 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE1' HD12 ' A' ' 4' ' ' LEU . 14.8 m-85 -85.94 14.34 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -64.25 -58.95 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.598 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.582 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 81.3 p -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -72.36 138.84 81.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.12 -74.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.55 -19.94 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.39 -47.2 63.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.411 1.069 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.1 p -73.09 -39.56 65.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -63.75 -45.15 91.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -39.53 69.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.491 ' SG ' ' HE1' ' A' ' 8' ' ' MET . 1.3 m -59.33 -44.86 92.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 108.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.46 -22.91 64.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.72 6.45 48.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 21.4 t80 -104.2 -36.66 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -82.36 51.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 55' ' ' SER . 10.7 t30 179.56 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.1 m 163.62 -28.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.96 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.53 ' O ' HD12 ' A' ' 60' ' ' ILE . 14.1 mmtt -118.99 -1.2 11.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.688 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -99.5 -43.48 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -57.75 -43.64 98.86 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -75.0 -50.89 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.571 HG21 ' CG2' ' A' ' 12' ' ' VAL . 13.2 mt -49.16 -45.38 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.976 HG23 ' CE2' ' A' ' 16' ' ' TYR . 62.9 mt -73.08 -18.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.714 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -70.49 -27.87 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.63 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.728 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.54 -52.25 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.002 HD11 HG12 ' A' ' 13' ' ' VAL . 4.8 mt -60.09 -40.93 91.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 1.8 pp20? -70.68 -25.37 62.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.22 -38.05 30.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.4 -16.87 1.67 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.531 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 2.7 m -63.98 155.59 30.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.915 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -85.52 168.58 19.32 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.806 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -74.91 -17.99 19.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.39 10.26 41.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -115.71 -38.04 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.1 t -56.17 -47.3 80.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.88 57.5 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -156.74 -58.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 0.0 110.451 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.583 ' N ' HG22 ' A' ' 75' ' ' THR . 4.0 mttt -79.56 -38.4 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CB ' ' OE2' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -67.17 -7.12 21.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.7 t30 62.89 35.17 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 12.6 pt-20 -120.51 69.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.573 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 171.33 -55.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 108.3 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -137.43 122.51 19.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.5 -153.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.975 HD23 ' N ' ' A' ' 5' ' ' SER . 0.3 OUTLIER -56.55 -19.34 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.975 ' N ' HD23 ' A' ' 4' ' ' LEU . 8.4 t -46.08 -41.76 12.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.061 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -61.75 -63.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.39 -47.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 39.8 mtt -51.4 -42.25 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.651 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -59.65 -31.44 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -80.11 -8.48 59.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.913 HD23 ' CD2' ' A' ' 31' ' ' PHE . 56.3 tp -90.64 -42.54 10.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.738 HG11 HG23 ' A' ' 57' ' ' VAL . 11.0 m -68.48 -48.37 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.785 HG12 HD11 ' A' ' 64' ' ' LEU . 29.9 m -60.82 -58.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' N ' HG23 ' A' ' 13' ' ' VAL . 8.3 tttp -43.73 -32.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -81.51 -40.54 23.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.047 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -72.47 -66.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.813 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.7 mm-40 -46.73 -38.47 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.54 37.17 3.95 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.654 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.5 t -87.73 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.18 -1.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 14.2 p-10 -111.73 -15.9 13.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 3.3 mmmt 51.23 56.65 7.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.578 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -140.18 113.12 8.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -5.19 24.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 4.6 t-20 -83.81 -51.11 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.578 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.09 -11.0 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.615 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.7 mt -85.8 -74.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.0 ptpp? -41.99 -36.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 15.7 mtpp -67.54 -47.57 69.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.771 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -55.71 -47.52 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.913 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.5 t80 -45.79 -54.8 7.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -57.92 -23.88 55.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.4 -73.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.225 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.794 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.5 tp10 -52.93 -29.61 29.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -67.12 -54.79 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.262 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 4.4 mmmm -50.42 -17.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 19.7 mtpp -102.11 -68.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -54.06 -52.17 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' CYS . 35.1 m-85 -88.62 36.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.718 ' C ' HG22 ' A' ' 41' ' ' THR . 2.8 t-160 -91.59 70.74 5.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.606 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.718 HG22 ' C ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER 164.53 -40.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.73 HG23 ' HD2' ' A' ' 43' ' ' PRO . 33.5 mm -40.12 142.96 0.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.93 26.23 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.535 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER 162.29 39.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.1 -62.6 1.0 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 39' ' ' PHE . 31.2 p -61.8 -30.17 70.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.421 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -72.14 -67.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -26.97 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 2.0 m -61.85 -55.08 33.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -57.5 -17.46 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.03 5.23 32.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.574 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 27.2 t80 -104.14 -51.94 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.555 HG12 ' CD1' ' A' ' 31' ' ' PHE . 10.4 m -49.48 -35.72 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.407 ' C ' ' OG ' ' A' ' 55' ' ' SER . 10.7 m120 -105.29 31.67 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.677 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -174.78 98.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.538 1.149 . . . . 0.0 110.024 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.677 ' CB ' ' O ' ' A' ' 55' ' ' SER . 13.8 mmtt 102.88 0.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.738 HG23 HG11 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -98.31 -22.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.661 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 t0 -78.31 -42.17 2.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.1 Cg_endo -75.07 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.587 1.835 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.613 HG23 HG11 ' A' ' 73' ' ' VAL . 53.9 mt -46.45 -48.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.047 HG23 ' CE2' ' A' ' 16' ' ' TYR . 81.8 mt -66.21 -27.33 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.694 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -71.17 -14.41 62.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.599 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 1.057 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -82.94 -50.43 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.395 1.06 . . . . 0.0 110.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.953 HD23 ' O ' ' A' ' 68' ' ' THR . 0.9 OUTLIER -70.87 -27.45 63.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 1.6 mt-10 -68.1 -38.27 82.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.82 -51.92 6.76 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.67 42.68 0.02 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.953 ' O ' HD23 ' A' ' 64' ' ' LEU . 25.1 m -120.27 119.1 32.2 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.595 0.82 . . . . 0.0 110.383 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -51.86 163.79 0.62 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.758 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.03 -19.11 18.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 10.6 37.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.75 -38.29 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.73 HG22 ' HB3' ' A' ' 63' ' ' GLU . 11.0 t -51.62 -53.37 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.113 . . . . 0.0 109.22 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.503 ' HA ' ' CG ' ' A' ' 79' ' ' GLU . 1.7 m -75.66 73.51 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER 179.23 -63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.524 ' N ' HG22 ' A' ' 75' ' ' THR . 6.5 tttp -73.53 -28.0 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.057 HD21 ' CD ' ' A' ' 63' ' ' GLU . 4.2 mm? -72.93 -2.15 19.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.93 23.93 14.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' CG ' ' HA ' ' A' ' 74' ' ' CYS . 5.4 pt-20 -99.49 -6.51 27.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 74' ' ' CYS . 6.9 t -147.04 135.37 10.88 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 108.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 110.98 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.2 t -123.16 23.03 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.094 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . -179.33 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 8' ' ' MET . 1.6 mp -38.15 -48.53 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -48.66 -64.53 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 7' ' ' GLN . 13.2 m -61.04 -68.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 108.267 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' A' ' 6' ' ' CYS . 3.3 mm-40 -33.04 -63.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 33.7 mtt -45.42 -47.05 13.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.693 ' O ' HG22 ' A' ' 13' ' ' VAL . 2.5 t -60.6 -33.04 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.8 mt-10 -80.55 -4.95 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 31' ' ' PHE . 38.4 tp -92.66 -40.16 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.84 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.9 m -72.96 -49.64 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.042 HG12 HD11 ' A' ' 64' ' ' LEU . 34.8 m -61.48 -58.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.1 ttpp -44.89 -33.89 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 48.6 mmtt -77.94 -40.11 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.002 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.68 -67.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' VAL . 11.1 mm-40 -39.69 -40.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.13 48.91 0.9 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.4 p -80.46 -54.75 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.75 -7.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -116.93 -9.2 11.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt 43.25 70.52 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.662 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -154.19 109.15 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -61.48 -12.83 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.395 1.059 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 5.6 t-20 -78.94 -40.0 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.383 1.052 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.662 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -85.87 -4.62 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.772 HG21 ' HB2' ' A' ' 16' ' ' TYR . 71.4 mt -94.04 -50.63 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.771 ' CB ' HG11 ' A' ' 57' ' ' VAL . 2.2 ptmt -67.6 -30.76 70.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.4 mtpp -75.05 -49.4 19.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -52.75 -50.46 63.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.829 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -52.74 -38.0 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.47 -30.23 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -67.73 -72.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 11' ' ' LEU . 5.1 tp10 -48.18 -40.66 24.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 52.8 t -59.38 -55.71 31.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.371 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 31.8 mttt -59.25 -5.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -100.76 -75.28 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -61.43 -48.64 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.577 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 18.4 m-85 -85.64 34.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 36' ' ' LYS . 30.4 t60 -89.4 -36.96 15.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.629 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.3 p -63.85 -24.64 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.152 . . . . 0.0 110.375 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -62.68 140.1 97.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.597 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 18.1 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 43' ' ' PRO . 6.2 m-85 -155.56 19.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.438 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -67.17 -58.78 7.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.401 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 73.7 p -55.07 -34.18 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -65.57 -49.18 69.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.75 -25.24 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' O ' HG13 ' A' ' 53' ' ' VAL . 88.7 m -53.55 -55.82 22.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.83 2.23 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.533 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.734 ' CD2' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 t80 -115.05 -42.71 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -81.45 48.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' SER . 64.6 t30 175.24 47.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 1.4 m 158.93 -23.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.067 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -119.34 -7.82 10.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.771 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.1 t -97.79 -48.61 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.638 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -51.48 -44.16 88.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.714 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.88 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.84 HG21 ' CG2' ' A' ' 12' ' ' VAL . 10.7 mt -43.57 -56.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.002 HG23 ' CE2' ' A' ' 16' ' ' TYR . 2.4 mt -58.8 -24.9 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.714 ' CG ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -62.99 -28.89 70.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.615 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.755 ' OE2' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -77.27 -50.85 11.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.042 HD11 HG12 ' A' ' 13' ' ' VAL . 22.4 mt -58.94 -37.48 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.65 -28.27 65.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.28 -40.61 19.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.16 -13.14 2.33 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.755 HG21 ' OE2' ' A' ' 63' ' ' GLU . 5.1 m -61.66 142.67 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.397 0.704 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.864 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -71.43 168.05 24.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.01 -21.72 15.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -96.66 10.24 39.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 68' ' ' THR . 4.1 m-20 -114.4 -35.07 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.2 t -58.55 -41.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 1.8 m -74.61 62.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.274 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.48 -59.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -67.98 -23.53 65.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.693 HD11 ' CE1' ' A' ' 62' ' ' HIS . 4.4 mm? -86.16 12.28 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m120 49.71 29.56 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.53 ' OE1' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -82.72 -64.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 74' ' ' CYS . 10.2 m -47.79 160.87 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.419 ' CD ' ' SG ' ' A' ' 6' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.81 81.24 1.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.79 -141.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.63 -19.13 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -48.83 -50.31 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 80' ' ' CYS . 1.3 t -48.31 -51.98 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tp60 -50.59 -52.94 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 55.5 mtt -49.26 -39.18 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.785 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -60.09 -31.9 70.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 108.313 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' HG22 ' A' ' 13' ' ' VAL . 3.2 mt-10 -80.24 -6.71 58.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.019 HD23 ' CD2' ' A' ' 31' ' ' PHE . 34.9 tp -93.25 -37.86 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.712 ' CG2' HG21 ' A' ' 60' ' ' ILE . 9.4 m -73.72 -33.86 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 HD11 ' A' ' 64' ' ' LEU . 23.3 m -70.63 -58.46 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.622 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -48.81 -33.34 10.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.359 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 9.2 mmtt -78.06 -40.49 38.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.177 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -78.54 -71.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.7 mm-40 -37.33 -41.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.246 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.68 54.0 0.59 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -91.03 -49.86 6.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 0.749 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 84.73 -10.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -115.64 -12.01 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt 44.92 63.56 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.457 ' OD2' HG23 ' A' ' 26' ' ' VAL . 28.4 t0 -138.76 110.06 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -14.14 14.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 25.7 m-20 -79.71 -59.33 2.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG23 ' OD2' ' A' ' 23' ' ' ASP . 2.0 t -69.76 -7.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.767 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.6 mt -91.18 -59.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.686 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.9 ptpp? -50.96 -40.37 57.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 13.9 mtpp -68.56 -49.85 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.7 m-20 -45.25 -49.86 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.019 ' CD2' HD23 ' A' ' 11' ' ' LEU . 9.5 t80 -46.85 -63.31 1.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 27.8 t0 -44.79 -40.39 6.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -48.88 -62.92 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.99 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -82.04 14.71 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 1.3 t -100.09 -63.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.085 . . . . 0.0 108.327 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HA ' HG22 ' A' ' 46' ' ' THR . 1.0 OUTLIER -59.88 -29.8 68.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -79.81 -54.56 5.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.586 HD23 ' C ' ' A' ' 38' ' ' LEU . 2.5 tt -60.48 -57.42 12.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HD1' HD12 ' A' ' 42' ' ' ILE . 25.9 m-85 -88.14 30.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.7 OUTLIER -57.71 -18.62 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.604 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.556 HG23 ' CD2' ' A' ' 40' ' ' HIS . 72.4 p -127.78 72.41 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.394 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 ' HD2' ' A' ' 43' ' ' PRO . 4.5 mt -149.48 142.2 15.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.11 106.96 2.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.559 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 77.15 -3.86 2.42 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.95 -59.86 7.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.442 HG22 ' HA ' ' A' ' 36' ' ' LYS . 68.8 p -59.62 -34.55 72.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -63.4 -45.27 91.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.347 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -69.48 -32.7 71.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 83.2 m -48.9 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.76 -29.59 59.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.17 9.9 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 14.6 t80 -114.88 -40.39 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.4 m -83.49 52.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t30 173.13 43.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.68 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -116.31 -3.97 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.686 HG11 ' CB ' ' A' ' 28' ' ' LYS . 2.2 t -98.11 -20.35 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.624 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -78.07 -45.28 2.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HA ' ' ND1' ' A' ' 62' ' ' HIS . 18.5 Cg_endo -74.96 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.712 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.2 mt -47.51 -49.22 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.177 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.9 mt -65.94 -25.8 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.731 ' C ' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -73.12 -18.43 61.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.578 ' CB ' HG13 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -81.86 -56.96 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.289 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.943 HD11 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -63.65 -47.73 80.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 62' ' ' HIS . 0.9 OUTLIER -60.74 -27.89 68.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.41 -42.22 23.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.84 -20.35 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 3.5 m -59.35 165.65 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.678 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -98.24 165.42 15.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.836 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.5 Cg_endo -75.01 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 6.07 9.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -114.86 -15.26 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 69' ' ' ALA . 1.9 t -69.51 -48.23 67.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -85.28 51.16 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 108.305 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.82 -60.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -30.7 70.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -88.81 15.76 7.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.7 22.31 1.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.533 ' OE1' HD11 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -89.08 41.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 3.7 t 179.03 135.66 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 108.267 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.544 1.813 . . . . 0.0 110.987 179.96 . . . . . . . . 0 0 . 1 stop_ save_