data_1s7e_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 1s7e _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.574 HG22 ' CZ3' ' A' ' 66' ' ' TRP . 3.5 mp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.51 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -89.63 -168.83 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 3.0 m -101.34 -56.51 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -88.67 -31.73 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.82 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' CE1' ' A' ' 62' ' ' PHE . 1.2 p -72.36 -41.21 65.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -65.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.89 -30.19 57.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.568 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.62 -60.23 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' A' ' 20' ' ' LEU . 4.2 mt -38.05 -37.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m -67.84 -51.46 48.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' ARG . 23.8 m -82.8 0.76 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.43 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -90.78 -48.83 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.573 ' CD1' ' CE3' ' A' ' 68' ' ' TRP . 0.3 OUTLIER -64.24 -82.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -88.07 -73.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 176.89 -33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 3.9 m-85 -179.04 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.72 66.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 20' ' ' LEU . 1.1 tp -58.07 134.33 84.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.05 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 3.6 mp0 -39.38 -41.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' O ' ' HB1' ' A' ' 31' ' ' ALA . . . -54.46 -63.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.07 -56.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CE2' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -55.42 -15.61 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -91.24 -33.94 15.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.39 -3.78 58.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.644 ' NE ' ' CZ2' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -90.84 -77.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.8 -67.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.601 HD21 ' CE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -58.89 166.93 1.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -93.42 -47.51 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.15 99.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -171.11 132.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 3.0 tm0? -109.78 69.46 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 100.65 32.62 5.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.548 ' CG2' ' CE ' ' A' ' 65' ' ' MET . 0.1 OUTLIER -40.01 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.546 HD22 ' CD1' ' A' ' 62' ' ' PHE . 30.9 mt -64.15 -54.76 28.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -62.3 -12.8 22.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 41' ' ' THR . 5.5 t70 -90.23 -46.84 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 2.3 tm? -71.69 -23.58 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -80.78 1.05 32.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' LEU . 4.1 tpp180 -36.43 -45.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.3 p-10 -78.4 151.96 78.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -153.52 102.47 2.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.59 15.59 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.2 m0 58.69 39.26 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -67.47 -14.01 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.971 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 30.72 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 37.59 86.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -28.81 69.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -61.99 -68.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.18 86.68 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -38.04 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.44 -34.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 m -58.66 -64.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.32 -51.17 11.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ARG . 5.0 ttm-85 -56.03 -58.8 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' ARG . 22.9 mmt180 -35.94 -38.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.548 ' CE ' ' CG2' ' A' ' 41' ' ' THR . 0.1 OUTLIER -72.67 -55.03 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.574 ' CZ3' HG22 ' A' ' 7' ' ' ILE . 5.3 m0 -51.78 -26.89 10.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -65.3 -53.24 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.644 ' CZ2' ' NE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -43.72 -56.87 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 3.5 mt -56.05 -45.04 79.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 71' ' ' GLU . 4.4 mm100 -61.05 -72.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.654 ' CD1' ' ND2' ' A' ' 146' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.528 0.204 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.465 ' CG2' HG12 ' A' ' 110' ' ' VAL . 52.8 m -109.22 137.7 46.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.26 -59.08 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.465 HG12 ' CG2' ' A' ' 108' ' ' THR . 11.7 p -44.89 -36.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 77.9 mt-30 -73.52 -57.96 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 6.4 ttp180 -51.01 -26.13 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -70.74 -46.12 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.525 ' CG2' HG12 ' A' ' 133' ' ' ILE . 32.8 m -61.08 -60.87 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 4.6 tp -55.94 -43.26 77.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.562 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 2.7 t-80 -47.3 -34.86 7.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.72 -35.63 70.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -56.34 -29.12 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD2' ' HB2' ' A' ' 151' ' ' ALA . 2.4 t80 -49.29 -27.5 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -126.61 55.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.482 ' CB ' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -130.02 -90.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 121' ' ' GLU . 6.6 t-20 175.91 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 129' ' ' LEU . 5.5 mttm -88.44 31.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.543 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 1.7 mtm105 -47.52 -49.19 56.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.03 -91.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 25.76 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -25.71 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' A' ' 132' ' ' THR . 29.9 tt0 -74.36 -38.73 63.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.1 OUTLIER -65.96 -56.43 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.472 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 3.6 pt20 -46.33 -34.6 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.1 mm -84.64 -27.59 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.6 m -62.87 -38.28 90.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.525 HG12 ' CG2' ' A' ' 114' ' ' THR . 0.1 OUTLIER -78.87 -50.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.477 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -56.62 -31.58 64.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.2 -14.49 33.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -61.63 -59.57 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.492 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.3 mp -116.47 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -142.96 -134.4 2.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.3 OUTLIER -171.92 -41.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.29 168.41 16.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 0.3 55.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.2 t -50.38 -55.21 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 146' ' ' ASN . 60.8 p -49.4 -53.82 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' A' ' 148' ' ' PHE . 74.9 t -41.16 -49.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.35 -42.99 92.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 107' ' ' PHE . 4.8 t-20 -41.16 -47.99 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.609 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -87.54 -66.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.609 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 10.2 m-85 -36.76 -30.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.4 tmm? -84.84 -52.3 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -63.21 -46.71 85.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.596 ' HB1' ' CE1' ' A' ' 147' ' ' PHE . . . -79.15 -78.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.508 HG23 ' CD2' ' A' ' 66' ' ' TRP . 1.6 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.514 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 3.3 m120 -79.24 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 11.1 t -100.58 -54.34 2.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' THR . 11.6 tttt -92.01 -30.24 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 8' ' ' ASN . 9.9 p -78.35 -39.27 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 42' ' ' LEU . . . -56.18 -66.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -54.89 -29.13 55.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -67.78 -52.49 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 5.4 mt -41.68 -43.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -66.5 -52.47 45.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.4 m -73.95 -1.86 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 15' ' ' ARG . 2.6 mm-40 -91.06 -58.53 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.569 HD13 ' CE3' ' A' ' 68' ' ' TRP . 0.6 OUTLIER -53.34 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -90.81 -67.45 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 165.74 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.7 m-85 176.11 36.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.73 53.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CD1' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.14 138.9 91.38 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 80.45 2.43 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -46.14 -24.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -41.84 78.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -83.32 -50.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CE1' ' CD1' ' A' ' 68' ' ' TRP . 22.8 t80 -58.14 -12.93 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -90.92 -43.27 10.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -90.77 1.48 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.81 -70.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.48 HG23 ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -123.43 -79.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' N ' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -93.58 147.83 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.36 -43.96 96.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HB3' ' CG2' ' A' ' 41' ' ' THR . 0.0 OUTLIER -59.55 147.58 36.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.496 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 m -160.84 -178.65 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 72.19 42.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 53.44 27.66 34.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -39.09 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.423 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.589 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 39.0 mt -49.28 -42.55 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -66.92 -24.4 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.0 t70 -80.3 -55.76 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' ' 55' ' ' LEU . 1.1 pp -65.01 -17.66 64.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -72.71 -5.61 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -33.27 -38.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' LEU . 44.6 t30 -69.89 122.44 86.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.31 2.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.439 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.67 122.28 1.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 127.77 10.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.0 m0 57.19 39.42 28.84 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -49.53 -54.59 17.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 74.58 30.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 62' ' ' PHE . 2.4 mm? 39.69 64.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -41.25 -46.02 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 m -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -149.11 74.93 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' GLY . 4.4 tmm_? -38.88 -31.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -47.77 -35.55 10.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 m -58.74 -63.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CD1' HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -45.6 -47.9 14.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -60.5 -56.68 18.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.457 ' CB ' HD21 ' A' ' 35' ' ' LEU . 1.1 mtp85 -38.64 -39.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' ' CD1' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -72.78 -49.35 31.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 8.8 m0 -58.25 -27.49 64.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -63.57 -51.98 62.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.569 ' CE3' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -45.51 -60.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.034 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' TRP . 2.9 mt -39.36 -45.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -82.3 -86.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 107' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.5 0.191 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.417 ' CG2' HG13 ' A' ' 110' ' ' VAL . 1.2 m -110.26 149.39 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -26.13 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.448 HG11 ' N ' ' A' ' 111' ' ' GLN . 7.5 p -75.84 -42.55 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.476 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 51.9 mt-30 -71.82 -56.35 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -51.37 -29.94 17.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 112' ' ' ARG . 8.3 ttt-85 -66.2 -42.34 88.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.48 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 25.4 m -65.25 -58.86 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.53 ' CD1' HG22 ' A' ' 133' ' ' ILE . 6.1 tp -58.22 -43.86 87.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.589 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 43.0 t60 -45.54 -39.94 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.593 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.73 -35.88 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -56.79 -25.98 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.545 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 5.8 t80 -50.75 -19.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.41 62.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.485 ' CB ' HD12 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -134.76 -75.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 163.08 -28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.423 ' HB3' ' CD1' ' A' ' 129' ' ' LEU . 8.0 mttp -92.25 28.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 12.0 mtm180 -46.14 -49.28 41.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.02 -91.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.541 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.9 m 27.98 80.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -39.69 -37.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.92 -58.02 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.3 OUTLIER -41.13 -56.32 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.661 ' CG ' ' CZ ' ' A' ' 148' ' ' PHE . 10.4 mt-30 -43.39 -44.41 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.08 -26.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 129' ' ' LEU . 22.5 m -61.46 -49.71 75.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.53 HG22 ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -65.42 -52.17 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.478 ' N ' HG21 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -52.97 -59.02 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -12.44 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 1.4 tt0 -64.72 -60.55 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.6 OUTLIER -112.93 12.77 19.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -156.18 -138.2 2.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -176.65 35.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 134' ' ' SER . 0.1 OUTLIER -160.05 152.19 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.89 -3.49 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.4 p -39.46 -50.95 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 112' ' ' ARG . 4.3 t -70.3 -51.09 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 148' ' ' PHE . 28.9 t -39.54 -49.09 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.74 -44.54 96.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' THR . 4.8 t30 -43.99 -45.92 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.595 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -84.99 -71.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.661 ' CZ ' ' CG ' ' A' ' 130' ' ' GLN . 9.6 m-85 -36.76 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -88.68 -44.28 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 147' ' ' PHE . 26.1 t30 -69.64 -49.43 53.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.586 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -75.57 -60.75 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.451 ' C ' ' OD1' ' A' ' 8' ' ' ASN . 3.0 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.547 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.2 OUTLIER 59.96 106.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -65.15 -59.77 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -41.26 74.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -76.87 -21.22 55.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.587 HG11 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -67.79 -66.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.439 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -45.87 -49.61 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.82 -29.06 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.602 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.76 -59.32 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 65' ' ' MET . 3.1 mt -57.03 -17.08 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 85.4 m -82.94 -49.65 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 m -90.23 -4.72 57.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' ARG . 6.4 mm-40 -91.36 -47.15 7.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.591 HD11 ' CE3' ' A' ' 68' ' ' TRP . 3.4 mp -63.23 -89.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 16.0 tttp -89.82 -57.39 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 163.45 -27.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.448 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.2 OUTLIER 174.3 36.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 162.87 75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -70.52 140.7 87.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.493 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.98 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.548 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 6.9 mp0 -43.03 -26.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -60.84 -44.24 97.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -75.19 -50.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -63.62 -9.81 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -90.68 -34.43 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -92.61 -14.88 27.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' NE ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.12 -84.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 35' ' ' LEU . 4.5 m -123.29 -52.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 22.9 mt -71.79 172.42 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 17.3 p -100.94 -35.8 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.72 89.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.2 m -162.79 142.18 9.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.411 ' CB ' HG23 ' A' ' 25' ' ' ILE . 2.0 pt20 -130.01 76.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.85 23.03 70.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -42.35 -39.8 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.584 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 2.6 tp -36.36 -40.25 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -70.5 -52.7 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' THR . 1.1 t70 -50.49 -55.93 13.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' A' ' 55' ' ' LEU . 4.4 pp -62.76 -22.71 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.581 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 20.7 mt -87.64 1.5 53.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -35.52 -41.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' LEU . 2.0 p-10 -75.29 142.65 75.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.7 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.35 104.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.31 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.8 m0 61.92 51.32 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' LYS . 22.6 t -89.46 -41.83 11.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 38.24 39.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 45' ' ' LEU . 17.6 mt 39.77 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.43 -30.83 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.2 m -60.46 -52.61 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -140.6 81.02 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -24.12 48.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.78 -37.73 68.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 m -58.67 -64.38 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CE2' HG11 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -44.19 -36.81 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 66' ' ' TRP . 6.4 mtp180 -64.42 -52.1 59.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 35' ' ' LEU . 77.5 mtt-85 -42.08 -39.03 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.478 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 5.0 mmt -65.0 -61.0 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 63' ' ' ARG . 1.9 m0 -42.85 -42.05 3.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' GLU . 3.1 mttt -47.11 -60.55 2.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.591 ' CE3' HD11 ' A' ' 20' ' ' LEU . 2.2 t90 -44.41 -57.49 3.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.581 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 5.0 mt -44.2 -44.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -77.44 -76.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' OE2' ' NE ' ' A' ' 33' ' ' ARG . 81.8 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.512 0.196 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.496 ' CG2' ' OE1' ' A' ' 111' ' ' GLN . 39.3 m -111.48 141.35 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 -27.93 34.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.5 t -69.41 -42.72 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.496 ' OE1' ' CG2' ' A' ' 108' ' ' THR . 0.8 OUTLIER -73.0 -58.12 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -46.25 -26.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -75.05 -43.37 53.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.486 ' CG2' HG12 ' A' ' 133' ' ' ILE . 63.2 m -64.13 -59.46 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.428 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 5.0 tp -56.49 -45.53 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.543 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 9.8 t-80 -45.32 -39.0 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.14 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.517 HD12 ' CB ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -60.87 -18.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.561 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 8.1 t80 -53.14 -19.06 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.78 68.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.517 ' CB ' HD12 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -135.38 -79.87 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 176.59 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.47 ' CB ' HD11 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -89.45 23.21 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.513 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 1.9 mtm180 -35.42 -55.48 1.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.93 -91.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 30.59 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.51 ' O ' ' CD1' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -50.58 -29.3 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.403 ' O ' ' OG1' ' A' ' 132' ' ' THR . 3.6 mm-40 -73.96 -27.27 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.485 ' CD1' HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -75.11 -50.12 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.533 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 2.2 pt20 -52.91 -32.69 46.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 7.0 mt -85.4 -22.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 129' ' ' LEU . 6.9 m -68.56 -47.0 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.529 HG21 ' CD1' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.33 -47.41 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.516 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -62.85 -36.16 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.441 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 1.0 OUTLIER -82.49 -10.83 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -73.72 -50.56 20.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.402 ' O ' ' CD ' ' A' ' 111' ' ' GLN . 0.7 OUTLIER -127.02 31.02 5.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -165.12 -120.52 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.8 OUTLIER 168.46 -37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' A' ' 134' ' ' SER . 23.2 mm-40 -81.04 172.27 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -94.81 0.47 54.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.25 -60.04 3.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 146' ' ' ASN . 56.0 p -44.83 -54.08 6.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.564 HG13 ' CE1' ' A' ' 148' ' ' PHE . 77.8 t -40.87 -48.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.9 -43.02 95.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 34.1 t-20 -40.13 -46.24 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.62 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.08 -66.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.62 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 9.9 m-85 -36.71 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.0 tmm? -85.16 -52.54 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.47 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.585 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -80.14 -65.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 1.4 mp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER 81.65 169.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 52' ' ' TRP . 4.7 t -102.01 -37.59 8.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -42.55 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -26.87 68.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.445 HG22 ' NE1' ' A' ' 66' ' ' TRP . 10.1 p -65.18 -59.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB1' ' CA ' ' A' ' 43' ' ' SER . . . -43.12 -49.28 6.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -53.93 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -46.27 -43.62 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 65' ' ' MET . 7.2 mt -54.51 -44.26 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 85.7 m -73.01 -54.59 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 85.0 m -61.3 -20.73 63.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.539 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 21.6 tt0 -89.17 -50.54 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.583 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 4.1 mp -56.12 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -62.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 167.87 -27.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.28 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 175.27 36.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER 163.99 76.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -66.29 140.21 96.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.04 92.57 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.89 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -51.42 -51.74 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.5 mp -75.34 -51.39 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.615 ' CD2' HG12 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -51.14 -18.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -91.12 -35.86 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -84.54 -5.85 59.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -91.44 -77.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.31 -61.37 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.607 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 27.0 mt -58.66 172.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -100.2 -43.0 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -170.26 94.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 p -170.96 136.19 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.47 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 14.9 pm0 -115.59 59.34 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.6 35.43 4.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.51 -27.46 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.656 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -56.4 -53.75 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.503 ' CA ' ' HB1' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -66.14 -43.47 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -53.82 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' CD2' HD21 ' A' ' 55' ' ' LEU . 4.1 pp -61.39 -26.16 67.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.491 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 28.4 mt -84.63 2.39 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 11.9 ptt180 -37.55 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.7 p-10 -89.13 145.75 34.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 119.73 5.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -155.73 105.62 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.57 13.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.413 ' N ' HG23 ' A' ' 9' ' ' THR . 9.9 m0 51.11 64.05 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -89.71 -44.54 9.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.39 43.22 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.578 HD22 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 43.77 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.21 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -60.19 3.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.68 99.77 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.69 -31.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.88 -41.41 11.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.5 m -58.3 -60.0 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.656 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -42.21 -30.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 110.95 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -46.38 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -48.87 -33.1 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.493 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.11 -58.12 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 3.2 m0 -51.06 -27.77 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.8 mmmt -60.28 -58.96 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 1.4 t90 -47.95 -51.32 24.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.583 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 1.7 mt -51.37 -48.27 62.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -49.84 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.534 0.207 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 111' ' ' GLN . 2.5 m -114.88 157.04 23.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -79.08 -52.3 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.75 -43.61 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.479 ' HG2' ' CD1' ' A' ' 133' ' ' ILE . 11.3 tm0? -59.34 -61.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -58.77 -24.08 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -71.8 -34.23 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.557 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 51.9 m -73.77 -58.9 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.601 ' HB3' ' CD2' ' A' ' 147' ' ' PHE . 2.2 tp -56.81 -39.46 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.598 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 65.1 t60 -58.74 -33.57 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.39 -20.59 36.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 122' ' ' ASN . 1.8 mm -67.27 -51.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.583 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 4.8 t80 -36.88 -34.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 21.5 mmtt -55.58 -65.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.2 OUTLIER 165.6 106.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -162.76 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.41 22.42 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.2 OUTLIER -47.87 -48.94 60.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.05 66.23 6.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.4 m -167.64 106.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -36.68 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.81 -42.45 94.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -53.82 -52.25 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.548 ' CG ' ' CG1' ' A' ' 144' ' ' VAL . 0.5 OUTLIER -46.12 -42.94 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.8 mt -80.03 -24.0 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' LEU . 63.1 m -66.77 -46.08 76.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.557 ' CG1' ' HB ' ' A' ' 114' ' ' THR . 0.0 OUTLIER -67.36 -36.39 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.469 ' N ' HG21 ' A' ' 133' ' ' ILE . 7.9 p -69.74 -39.77 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 135' ' ' GLN . 4.6 tm0? -82.38 -11.52 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.46 ' OE1' ' CD2' ' A' ' 137' ' ' LEU . 10.5 tt0 -83.23 -28.98 28.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.46 ' CD2' ' OE1' ' A' ' 136' ' ' GLN . 2.2 mm? -127.59 7.1 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -170.29 -119.36 0.5 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.6 OUTLIER -179.85 -40.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.34 152.54 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 0.17 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.33 -52.1 55.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 146' ' ' ASN . 44.3 p -57.3 -51.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 148' ' ' PHE . 65.4 t -40.08 -48.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 146' ' ' ASN . 0.3 OUTLIER -57.87 -46.63 84.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 143' ' ' THR . 21.0 t-20 -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.642 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -89.12 -72.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.599 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 7.5 m-85 -30.46 -40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -78.03 -51.86 9.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' PHE . 31.6 t30 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.642 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -64.43 -65.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 148' ' ' PHE . 17.0 ttt-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 66' ' ' TRP . 3.0 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -169.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 10.1 t -100.29 -55.02 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -96.93 -24.71 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -76.38 -25.27 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 7.2 p -78.0 -54.6 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -44.36 -54.11 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -48.8 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -50.89 -42.09 58.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.426 ' CD1' ' HB3' ' A' ' 65' ' ' MET . 4.4 mt -53.64 -44.02 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 m -74.52 -54.08 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.32 -22.27 60.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 5.3 mm-40 -90.52 -45.47 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.675 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 3.6 mp -53.29 -88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -86.74 -57.77 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 5.6 ptm180 163.71 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 172.51 37.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.7 m 162.79 75.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.602 HG12 ' CD2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -68.97 140.66 91.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.559 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.01 97.02 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -37.91 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -55.35 -51.41 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' PRO . 2.1 mp -71.63 -42.49 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.699 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.22 -6.67 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -90.73 -45.44 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -90.77 0.05 57.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' NH1' ' CZ2' ' A' ' 68' ' ' TRP . 18.7 mmm-85 -90.43 -76.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.498 ' CG1' ' H ' ' A' ' 35' ' ' LEU . 2.1 p -125.4 -73.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.699 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -59.63 162.37 5.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 85.5 m -70.05 -52.43 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -170.61 99.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.431 ' CB ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -170.74 149.61 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.27 72.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.431 HG23 ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -45.22 -37.07 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.407 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.616 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -42.07 -54.07 3.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.429 ' N ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -60.57 -40.87 93.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.12 -59.08 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD11 ' CD2' ' A' ' 55' ' ' LEU . 4.3 pp -61.6 -24.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.504 HD13 ' CE1' ' A' ' 62' ' ' PHE . 1.9 mt -81.38 0.66 36.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' LEU . 13.3 ttm180 -36.58 -44.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.03 143.14 83.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -144.99 107.26 4.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.9 m0 47.57 49.41 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -46.34 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 66.96 37.01 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.579 ' HB2' ' CD1' ' A' ' 62' ' ' PHE . 1.2 mt 37.38 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -34.41 71.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 m -96.9 58.05 1.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.51 47.24 0.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -50.55 -30.61 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.31 -39.28 69.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 42' ' ' LEU . 3.3 m -56.18 -62.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.616 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -39.63 -44.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 9.4 ttm180 -68.89 -50.59 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.34 -55.87 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.426 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -50.69 -50.89 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 17.7 m0 -48.89 -37.96 21.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -51.09 -52.42 43.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CZ2' ' NH1' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -45.71 -50.88 13.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 107.975 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.571 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 12.3 mt -68.58 -29.77 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -74.95 1.88 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.491 0.186 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -106.38 156.47 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.0 p-10 -78.11 -51.75 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.455 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 38.2 t -55.17 -50.14 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.482 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 44.8 mt-30 -59.47 -61.55 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.4 ttt180 -52.95 -25.57 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -72.27 -33.25 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.488 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 36.5 m -71.83 -60.04 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.465 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 4.0 tp -57.74 -43.42 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.621 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 4.8 t60 -50.86 -39.05 52.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.16 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 129' ' ' LEU . 0.7 OUTLIER -68.58 -35.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.573 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.1 t80 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -77.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 178.45 102.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -154.16 -70.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -145.96 23.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.532 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -31.4 -56.57 0.41 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.02 66.79 6.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 51.4 m -155.22 98.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -63.36 -26.3 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -72.27 -43.52 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.44 -53.03 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.505 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 2.4 pt20 -45.8 -40.29 9.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.456 ' N ' ' HG2' ' A' ' 130' ' ' GLN . 4.5 mt -80.23 -27.01 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 129' ' ' LEU . 86.6 m -67.96 -38.28 82.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.488 ' CG1' ' HB ' ' A' ' 114' ' ' THR . 0.0 OUTLIER -72.73 -42.26 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.48 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 0.0 OUTLIER -64.55 -48.62 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -74.27 -19.24 60.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.425 ' NE2' HG23 ' A' ' 132' ' ' THR . 5.5 mt-30 -61.12 -56.39 21.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -111.33 13.68 21.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -156.85 -139.64 2.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.59 35.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 134' ' ' SER . 8.9 tp10 -157.46 148.33 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.62 -0.27 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -51.21 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 134' ' ' SER . 3.1 t -64.24 -46.07 85.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 130' ' ' GLN . 69.6 t -42.38 -47.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -64.92 -38.29 90.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 143' ' ' THR . 20.2 t-20 -42.02 -45.53 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.621 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -89.65 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.489 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 5.5 m-85 -38.33 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 147' ' ' PHE . 11.2 tmm? -85.47 -54.27 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.598 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -83.36 -60.82 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . 0.401 ' CA ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.579 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 7.1 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 22.5 m-80 66.07 138.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.46 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -100.91 -42.18 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.4 -33.95 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -72.04 -21.92 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG2' ' NE1' ' A' ' 66' ' ' TRP . 9.9 p -75.86 -49.59 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB1' ' N ' ' A' ' 43' ' ' SER . . . -53.12 -64.18 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -54.8 -25.7 29.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.575 ' O ' ' N ' ' A' ' 19' ' ' GLU . 3.4 mtp180 -71.91 -60.48 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.487 ' CD1' HD13 ' A' ' 42' ' ' LEU . 5.9 mt -38.72 -32.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 15' ' ' ARG . 18.5 m -72.68 -50.92 21.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' ARG . 18.4 m -84.09 0.41 48.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.575 ' N ' ' O ' ' A' ' 15' ' ' ARG . 3.4 mm-40 -91.72 -58.05 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.569 HD13 ' CZ3' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -57.21 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 9.7 tttp -85.02 -68.71 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 163.04 -29.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.5 m-85 178.41 35.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -174.56 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.28 125.23 74.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.05 87.9 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.468 ' OE1' ' CG ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -38.76 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -62.62 -53.11 59.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' PRO . 47.2 mt -58.18 -54.59 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' CD1' ' CD1' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -61.96 -12.87 20.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -89.61 -35.62 15.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -91.73 -6.14 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -90.07 -81.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.77 -63.02 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.52 HD13 ' CG ' ' A' ' 30' ' ' PHE . 25.4 mt -59.34 167.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 14.3 t -90.22 -49.7 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.19 100.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 p -170.3 126.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.468 ' CG ' ' OE1' ' A' ' 27' ' ' GLN . 12.1 pt20 -106.74 52.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 118.2 31.65 1.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.581 1.176 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.434 ' CG2' ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.1 -28.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.383 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 62' ' ' PHE . 8.6 mt -62.9 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' ARG . 3.2 m -53.69 -34.65 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 41' ' ' THR . 35.5 t0 -55.2 -60.14 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -20.75 63.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.508 ' CD2' ' HA ' ' A' ' 10' ' ' LYS . 5.3 mp -90.77 2.99 55.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.59 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' LEU . 16.5 p30 -75.18 129.18 83.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.39 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -146.86 128.77 7.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.405 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 1.4 m-90 80.33 59.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.5 t -45.6 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.53 36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm? -89.67 43.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -100.06 -52.41 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -49.53 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.71 46.31 1.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' THR . 0.3 OUTLIER -60.36 -14.33 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -35.89 -35.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 59' ' ' ARG . 8.4 t -77.4 -53.82 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 1.2 m-30 -53.07 -38.81 62.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.163 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -71.72 -56.41 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -47.18 -30.35 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.474 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mmt -73.57 -56.52 4.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.581 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 2.5 m0 -57.3 -23.82 51.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -52.59 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.569 ' CZ3' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -48.56 -57.24 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 69' ' ' LEU . 3.6 mt -47.79 -47.77 30.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.2 -72.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' A' ' 142' ' ' SER . 7.1 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.508 0.194 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.415 ' CB ' ' OE1' ' A' ' 111' ' ' GLN . 8.1 m -110.4 165.88 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.4 p-10 -84.12 -51.99 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.447 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 73.2 t -56.75 -48.29 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.5 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 25.1 mt-30 -58.56 -62.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -54.33 -20.65 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -72.43 -41.86 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.474 ' CG2' HG13 ' A' ' 133' ' ' ILE . 12.0 m -65.3 -58.96 4.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.591 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 2.5 tp -56.22 -52.56 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 73.4 t60 -49.62 -26.04 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.52 -35.17 68.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 121' ' ' GLU . 5.1 tp -77.24 -20.61 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 151' ' ' ALA . 1.5 t80 -36.54 -40.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 57.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 7.9 tp10 -123.0 -85.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 42.2 t30 174.58 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -177.93 42.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 1.3 mtm105 -66.95 -43.19 46.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.95 -93.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.2 m 31.19 85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -30.06 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.406 ' O ' ' OG1' ' A' ' 132' ' ' THR . 0.2 OUTLIER -75.18 -23.4 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 132' ' ' THR . 1.2 tt -83.66 -57.39 3.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.478 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 10.8 pt20 -43.73 -35.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.9 mt -81.3 -34.26 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 4.4 m -57.34 -53.87 53.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.87 -56.89 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.463 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -51.52 -36.97 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 139' ' ' LEU . 40.7 tp60 -77.7 -23.43 49.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.494 ' HB3' ' CD2' ' A' ' 137' ' ' LEU . 2.5 tt0 -58.78 -50.17 74.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.5 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -123.87 26.76 7.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -175.44 -125.47 0.87 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.3 OUTLIER 175.16 -35.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.254 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.34 150.75 41.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.61 0.53 26.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -51.96 -49.58 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 0.6 OUTLIER -57.64 -50.42 73.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.582 HG13 ' CE1' ' A' ' 148' ' ' PHE . 54.8 t -41.75 -52.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.71 -39.36 70.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 143' ' ' THR . 10.9 t-20 -43.75 -48.79 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.06 -67.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.603 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 9.0 m-85 -34.71 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -83.64 -49.36 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 147' ' ' PHE . 63.5 m-20 -62.38 -47.44 84.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.58 ' HB2' ' CD1' ' A' ' 147' ' ' PHE . . . -78.45 -69.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.572 HG23 ' CZ2' ' A' ' 66' ' ' TRP . 2.3 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.456 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 6.0 m-20 -58.14 106.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.609 ' HB ' ' CE2' ' A' ' 62' ' ' PHE . 30.9 p -54.73 -34.43 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.456 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 5.0 mm-40 -59.41 -57.54 12.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.576 ' CG2' ' CD1' ' A' ' 66' ' ' TRP . 3.8 p -40.58 -38.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB3' ' N ' ' A' ' 43' ' ' SER . . . -54.91 -67.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 0.6 OUTLIER -65.94 -19.8 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.7 -42.23 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.513 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 5.5 mt -59.75 -45.98 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.22 -19.46 60.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -90.99 -24.9 19.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -85.37 -53.42 5.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.561 HD11 ' CE3' ' A' ' 68' ' ' TRP . 0.2 OUTLIER -43.42 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -90.24 -60.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER 167.08 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 168.51 37.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.0 63.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.591 HG12 ' CD2' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -69.66 139.76 88.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.533 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.96 92.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 4.0 mp0 -40.58 -27.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.72 -49.58 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.1 mp -77.38 -41.24 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -70.74 -4.15 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -92.33 -48.29 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.04 -8.98 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.47 -72.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.98 -57.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -121.6 167.29 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.36 -37.88 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 41' ' ' THR . 2.2 mmp_? -59.52 145.58 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 11.6 m -164.94 -177.95 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.953 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER 66.91 47.2 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 45.73 35.34 5.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -41.1 -26.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 13.5 mt -63.23 -50.41 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -20.97 66.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.92 -44.9 37.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -78.8 -19.03 53.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 48' ' ' ASN . 6.0 mp -90.09 0.29 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.33 -59.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.6 p30 -60.33 159.25 23.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -152.67 89.92 3.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.19 13.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.7 m0 68.17 37.69 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 t -64.84 -43.19 93.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 70.9 25.28 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 38.99 78.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -46.9 -29.78 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.9 m -53.39 -39.85 64.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 99.84 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.41 -26.99 68.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -33.46 75.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.412 ' O ' ' SD ' ' A' ' 65' ' ' MET . 22.9 m -58.29 -66.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.609 ' CE2' ' HB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -40.8 -42.75 1.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 111.005 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.577 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 22.0 ttt180 -65.2 -46.84 79.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 6.3 mmt85 -50.47 -50.03 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' TRP . 1.9 mpt? -53.29 -60.15 3.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 63' ' ' ARG . 4.0 m0 -44.79 -27.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -65.71 -46.58 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.561 ' CE3' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -45.87 -51.19 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -75.24 -30.8 60.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' GLU . 32.4 tt0 -55.01 -39.69 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 70' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.455 0.169 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.458 ' CB ' ' NE2' ' A' ' 111' ' ' GLN . 19.5 m -110.23 171.16 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -88.06 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.6 t -57.43 -51.14 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.506 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 7.0 mt-30 -58.82 -60.95 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -52.77 -20.8 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -85.9 -25.5 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.494 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 61.0 m -77.78 -59.67 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.575 HD23 ' CE2' ' A' ' 148' ' ' PHE . 7.2 tp -59.69 -40.36 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.56 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 57.4 t60 -51.87 -49.9 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.02 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.518 ' CG2' ' HA ' ' A' ' 124' ' ' ARG . 0.2 OUTLIER -68.28 -27.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.594 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -49.35 -23.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -73.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 168.86 107.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.5 -60.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.496 ' O ' ' CD2' ' A' ' 129' ' ' LEU . 2.1 mtmt -149.53 29.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.518 ' HA ' ' CG2' ' A' ' 118' ' ' ILE . 0.8 OUTLIER -34.1 -53.71 0.88 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.0 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.578 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.3 m 24.11 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.7 OUTLIER -38.36 -31.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -66.34 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.0 OUTLIER -41.76 -53.64 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.466 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 33.1 mt-30 -42.57 -49.91 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.2 mm -77.52 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 129' ' ' LEU . 8.5 m -66.0 -46.47 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.494 ' CG1' ' HB ' ' A' ' 114' ' ' THR . 0.0 OUTLIER -68.99 -41.6 81.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.27 -42.51 93.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.518 ' HA ' ' HA ' ' A' ' 139' ' ' LEU . 6.2 tm0? -79.05 -16.85 56.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -38.22 81.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 2.9 mm? -113.28 -33.39 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -132.48 -110.8 1.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.518 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -179.34 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.61 138.95 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.9 pp -72.71 -4.15 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.3 -50.73 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 146' ' ' ASN . 14.3 t -69.04 -45.69 69.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.559 ' CG1' ' CD2' ' A' ' 115' ' ' LEU . 78.9 t -43.55 -35.9 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -39.89 56.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -40.56 -39.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -83.53 -68.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.634 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 11.5 m-85 -41.5 -26.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 147' ' ' PHE . 22.6 tpp -77.83 -54.51 6.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -68.47 -52.17 35.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.582 ' HB3' ' CD1' ' A' ' 147' ' ' PHE . . . -69.9 -82.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.535 HG23 ' CE2' ' A' ' 66' ' ' TRP . 1.7 mp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 2.5 m120 -91.93 -170.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 1.6 m -100.61 -58.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -32.39 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.9 67.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 8' ' ' ASN . 2.6 p -73.98 -50.24 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -47.49 -58.38 4.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -26.84 64.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.78 -59.19 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.514 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 3.7 mt -38.66 -36.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.488 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 1.1 m -67.36 -51.02 57.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' ARG . 50.6 m -83.23 0.09 47.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -90.9 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.604 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mp -53.66 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -90.75 -70.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.565 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 168.71 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.8 m-85 177.7 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.5 m -161.9 64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 17' ' ' THR . 47.6 mm -57.58 119.08 29.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 18.3 Cg_endo -74.97 84.94 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -37.82 -32.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.43 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' GLN . 2.1 mp -67.86 -50.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CD2' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -52.48 -27.6 16.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -91.83 -17.92 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -88.79 -7.8 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HG3' ' NE1' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -91.03 -80.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -48.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.637 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -60.15 161.75 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 68.2 m -100.48 -36.1 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -171.78 96.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.472 ' HB2' ' CG2' ' A' ' 41' ' ' THR . 11.9 p -170.45 169.4 7.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -156.55 60.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.82 9.41 40.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 38' ' ' SER . 0.6 OUTLIER -40.33 -32.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.514 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 13.4 mt -37.38 -46.51 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' ARG . 32.3 t -75.65 -42.13 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 56.3 m-20 -53.35 -58.3 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.483 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 2.0 pp -62.08 -25.38 67.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 42.7 mt -90.74 1.71 56.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -41.1 -32.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -72.42 154.04 91.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 93.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.86 86.98 8.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 16.9 m0 55.77 60.64 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 108.017 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.2 t -89.91 -48.25 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 83.68 36.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.569 HD23 ' CE2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 40.22 73.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -45.97 -41.51 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.93 -53.7 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -173.24 105.39 0.21 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -25.97 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -45.56 -47.75 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 m -50.61 -58.1 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -50.13 -38.77 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -67.01 -38.28 85.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.11 -60.57 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.475 ' CB ' HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -55.27 -58.25 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 18.7 m0 -45.92 -55.53 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 18.6 mttt -40.76 -37.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.582 ' CE3' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -58.89 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.402 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -68.59 -6.95 28.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -78.13 -38.76 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.463 ' N ' ' OG ' ' A' ' 142' ' ' SER . 96.5 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.552 0.215 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -107.3 161.06 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.2 OUTLIER -86.83 -46.9 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.71 -48.27 88.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.502 ' HG2' ' CB ' ' A' ' 143' ' ' THR . 1.2 tt0 -61.19 -61.52 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -56.46 -24.49 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 44.0 ttt180 -72.05 -32.72 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.536 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 54.4 m -68.77 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.505 ' CD1' HG21 ' A' ' 133' ' ' ILE . 7.6 tp -57.69 -36.27 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.641 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 42.0 t60 -52.42 -41.79 63.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.31 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.502 ' CG2' ' HA ' ' A' ' 124' ' ' ARG . 0.1 OUTLIER -65.23 -33.89 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.611 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.9 t80 -43.44 -25.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.38 -70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER 160.0 110.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.52 -69.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.519 ' O ' ' CD2' ' A' ' 129' ' ' LEU . 1.1 mttt -145.57 40.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.9 OUTLIER -39.27 -51.08 4.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.557 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.05 -91.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.557 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.0 m 25.29 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.481 ' O ' ' CD1' ' A' ' 131' ' ' ILE . 1.7 mmtt -45.33 -25.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 126' ' ' SER . 2.5 tp10 -74.01 -42.51 60.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 123' ' ' LYS . 0.2 OUTLIER -64.01 -62.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.433 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 1.1 pt20 -41.77 -35.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 58.7 mt -80.44 -39.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 129' ' ' LEU . 21.2 m -48.49 -57.49 6.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.536 ' CG1' ' HB ' ' A' ' 114' ' ' THR . 0.0 OUTLIER -57.96 -55.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -50.11 -24.73 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -90.96 -24.42 20.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.79 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.432 ' HB2' ' CD ' ' A' ' 111' ' ' GLN . 4.5 mm? -70.65 -12.45 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.414 ' C ' ' CD2' ' A' ' 139' ' ' LEU . . . 70.35 63.62 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.414 ' CD2' ' C ' ' A' ' 138' ' ' GLY . 3.9 mm? -133.69 -98.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.46 ' C ' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -178.66 -170.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 142' ' ' SER . 2.7 pp -47.54 -20.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 141' ' ' LEU . 3.5 t -32.5 -53.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.502 ' CB ' ' HG2' ' A' ' 111' ' ' GLN . 5.9 t -64.49 -52.05 59.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.604 HG13 ' CE2' ' A' ' 148' ' ' PHE . 95.5 t -44.05 -60.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.3 OUTLIER -59.52 -47.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 112' ' ' ARG . 52.1 t-20 -45.26 -51.88 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.641 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.6 t80 -78.17 -72.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.604 ' CE2' HG13 ' A' ' 144' ' ' VAL . 7.8 m-30 -33.07 -37.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.513 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.5 ttm -82.56 -52.22 7.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -59.15 -47.08 86.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.588 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.23 -73.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.648 ' CG2' ' CZ2' ' A' ' 66' ' ' TRP . 4.3 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 2.2 m-20 66.65 140.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -103.43 -45.69 4.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -96.16 -43.8 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -65.51 -24.02 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 4.9 p -75.4 -52.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -48.07 -56.48 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -62.01 -22.84 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -72.78 -47.9 42.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 2.9 mt -63.83 -16.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -91.03 -39.52 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.9 m -90.76 -12.14 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.431 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 15' ' ' ARG . 7.5 mm-40 -91.08 -57.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.709 ' CD1' ' CE3' ' A' ' 68' ' ' TRP . 2.7 mp -41.04 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.2 tttt -87.06 -54.57 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER 156.75 -23.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.3 OUTLIER 170.48 37.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 161.35 74.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -70.33 138.06 86.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.04 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 4.7 mp0 -40.08 -28.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.84 -47.8 83.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -67.07 -51.15 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.626 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -67.83 -4.94 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -90.17 -52.09 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -5.05 59.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' CG ' ' CD1' ' A' ' 68' ' ' TRP . 4.9 tpm_? -90.53 -77.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 t -120.24 -78.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.583 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 9.6 mt -60.09 176.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.0 m -96.75 -41.41 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.07 98.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 m -170.13 152.74 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.78 71.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 84.64 25.91 40.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.98 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 0.787 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.583 HD21 ' CD1' ' A' ' 62' ' ' PHE . 10.7 mt -48.91 -61.49 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -55.06 -44.2 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.499 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 57.5 m-20 -52.8 -56.7 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.48 ' CD1' HD12 ' A' ' 55' ' ' LEU . 4.0 pp -68.94 -20.8 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 9' ' ' THR . 0.4 OUTLIER -91.31 2.49 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -38.34 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.24 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.78 145.7 50.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 99.09 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -141.23 84.91 12.35 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.81 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.3 m0 67.14 43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -83.59 -56.06 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 82.23 33.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 62' ' ' PHE . 2.4 mm? 39.18 79.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -24.65 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -57.59 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.072 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 99.74 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -28.44 15.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 0.783 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -48.94 -44.62 40.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 m -52.79 -58.76 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -45.63 -39.82 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' ARG . 1.1 mtm180 -64.77 -58.02 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' CG ' HD22 ' A' ' 35' ' ' LEU . 1.4 ttm180 -35.34 -40.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.618 ' HE3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.68 -51.11 17.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.648 ' CZ2' ' CG2' ' A' ' 7' ' ' ILE . 13.3 m0 -54.17 -27.13 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.2 mtpt -63.13 -62.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.709 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.9 t90 -42.34 -48.27 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.534 HD12 ' CD1' ' A' ' 20' ' ' LEU . 2.3 tp -62.65 -60.29 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.476 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -44.17 -52.04 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 70' ' ' GLN . 34.7 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.585 ' CZ ' ' OD1' ' A' ' 146' ' ' ASN . 2.9 t80 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.516 0.198 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 151.99 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.13 -27.53 21.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.73 -46.27 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.424 ' O ' HD12 ' A' ' 133' ' ' ILE . 6.0 mp0 -69.59 -59.29 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -49.65 -22.61 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.429 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 9.6 mtt180 -77.31 -43.88 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.453 HG22 ' CG1' ' A' ' 133' ' ' ILE . 63.1 m -63.67 -60.42 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.545 ' CD1' HG22 ' A' ' 133' ' ' ILE . 6.9 tp -55.37 -41.84 73.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.65 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 35.5 t60 -50.87 -34.09 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.14 -25.1 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -69.48 -24.9 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 151' ' ' ALA . 2.7 t80 -49.1 -19.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 69.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.459 ' CB ' HD11 ' A' ' 118' ' ' ILE . 1.6 tt0 -134.89 -76.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -178.23 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 124' ' ' ARG . 0.6 OUTLIER -90.08 22.66 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.557 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 2.7 mtm180 -29.74 -57.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.01 -92.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 125' ' ' PRO . 35.3 m 32.41 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.51 -44.29 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -49.94 75.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -46.13 -51.25 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.533 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.3 OUTLIER -46.64 -41.93 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.421 ' N ' ' HG2' ' A' ' 130' ' ' GLN . 3.1 mt -80.07 -23.33 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' LEU . 95.9 m -66.69 -47.12 73.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.545 HG22 ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -71.69 -45.2 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.535 ' N ' HG21 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -57.59 -37.32 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 139' ' ' LEU . 2.3 tt0 -86.95 -21.3 26.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 132' ' ' THR . 0.0 OUTLIER -54.84 -48.99 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.407 HD11 ' C ' ' A' ' 136' ' ' GLN . 0.7 OUTLIER -116.98 -12.1 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -132.13 -132.0 3.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.2 OUTLIER -168.62 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' A' ' 134' ' ' SER . 0.3 OUTLIER -69.31 174.67 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -99.98 1.18 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.5 t -55.34 -50.91 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.422 ' HB ' ' CB ' ' A' ' 111' ' ' GLN . 62.1 p -52.11 -40.01 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.695 ' CG1' ' CE2' ' A' ' 148' ' ' PHE . 45.0 t -61.78 -44.05 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.84 -45.95 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.585 ' OD1' ' CZ ' ' A' ' 107' ' ' PHE . 2.6 m-80 -43.02 -53.87 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.65 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.1 t80 -76.87 -70.61 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.695 ' CE2' ' CG1' ' A' ' 144' ' ' VAL . 7.1 m-30 -33.4 -34.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.518 ' O ' ' CG ' ' A' ' 152' ' ' ARG . 18.7 mmt -90.73 -46.0 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 146' ' ' ASN . 5.5 t-20 -61.91 -41.3 97.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.61 ' O ' ' CZ ' ' A' ' 119' ' ' PHE . . . -90.18 0.34 57.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 149' ' ' MET . 25.2 ptt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.528 HG21 ' CE2' ' A' ' 66' ' ' TRP . 4.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.44 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -84.16 -168.19 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.49 HG21 ' CD2' ' A' ' 46' ' ' LEU . 1.2 m -101.84 -55.61 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -97.4 -26.56 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.66 -27.31 45.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 7.8 p -70.64 -52.28 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.463 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -50.87 -63.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -27.31 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 19' ' ' GLU . 7.9 ttt180 -67.51 -59.84 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.503 ' CG2' HD23 ' A' ' 20' ' ' LEU . 4.6 mt -35.95 -43.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -58.42 -51.63 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' ARG . 4.9 m -88.35 1.06 55.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.84 -52.35 4.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.584 HD12 ' CE3' ' A' ' 68' ' ' TRP . 4.6 mm? -55.73 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.5 tttt -84.02 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.574 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 160.91 -29.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.4 m-85 179.39 35.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.83 63.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -57.49 125.38 71.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' GLN . 18.3 Cg_endo -74.97 80.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.49 -36.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -59.01 -60.17 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 5.1 mt -59.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE2' ' CD2' ' A' ' 35' ' ' LEU . 21.4 t80 -69.84 -4.44 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -93.27 -41.79 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -15.67 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.519 ' HD3' ' CE2' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -66.69 -79.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.462 HG12 ' CD2' ' A' ' 35' ' ' LEU . 2.5 p -125.6 -66.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -68.03 149.15 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 2.1 p -55.37 -56.84 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.12 110.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 2.8 m -170.9 134.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.43 60.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 30.98 3.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -52.78 -35.82 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.478 HD12 ' CD1' ' A' ' 16' ' ' ILE . 28.3 mt -47.57 -57.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.442 ' N ' ' HB2' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -54.82 -38.13 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.97 -60.26 4.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD11 ' CD2' ' A' ' 55' ' ' LEU . 3.5 pp -62.4 -19.26 63.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.49 ' CD2' HG21 ' A' ' 9' ' ' THR . 0.5 OUTLIER -89.8 4.07 50.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -33.45 -47.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.3 p-10 -72.4 146.18 88.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.2 OUTLIER -137.87 102.07 8.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 121.01 6.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m0 45.13 61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 46.5 t -91.29 -54.53 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 87.27 38.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER 37.74 76.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -59.03 -31.65 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 4.5 m -54.0 -45.67 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.91 108.87 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -68.49 -25.75 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.52 -36.99 82.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.464 HG22 ' CD2' ' A' ' 42' ' ' LEU . 2.7 m -58.65 -64.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -42.91 -47.32 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.544 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -61.96 -48.5 80.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.481 ' CG ' HD11 ' A' ' 35' ' ' LEU . 1.2 ttt180 -37.72 -48.11 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -53.48 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 11.8 m0 -49.58 -36.95 25.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 108.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 14.7 mttt -51.11 -55.48 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.584 ' CE3' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -43.79 -59.29 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 108.016 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -55.72 -33.61 64.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -77.18 1.51 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 146' ' ' ASN . 2.0 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.51 0.195 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.431 ' OG1' ' NE2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -98.97 163.72 12.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.95 -41.48 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.2 p -66.84 -40.37 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.486 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 35.0 mt-30 -66.86 -59.91 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -53.88 -18.9 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -82.68 -29.33 30.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.496 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 37.5 m -75.04 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.556 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 3.6 tp -59.37 -33.2 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.642 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 48.7 t60 -62.6 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.58 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.22 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 0.3 OUTLIER -71.26 -49.7 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.551 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -44.48 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -69.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 170.0 104.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -161.52 -76.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' CD1' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -149.62 42.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 15.1 mtm180 -58.11 -42.63 96.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.02 58.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.552 1.817 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 129' ' ' LEU . 2.8 m -150.99 90.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -36.19 6.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -37.15 86.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 144' ' ' VAL . 25.9 tt0 -45.61 -40.4 8.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.3 mt -81.74 -25.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 84.0 m -63.36 -50.32 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.501 HG21 ' CD2' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.18 -53.64 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 139' ' ' LEU . 0.9 OUTLIER -55.28 -37.66 67.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 19.2 tt0 -86.23 -2.35 58.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.5 -44.62 20.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.486 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.5 mp -128.23 21.85 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -167.64 -120.31 0.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' SER . 1.1 pp 169.72 -34.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.754 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 153.04 38.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -2.97 49.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -60.6 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -48.9 49.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 130' ' ' GLN . 2.0 t -44.97 -49.3 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -40.2 89.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.515 ' HA ' ' CE2' ' A' ' 107' ' ' PHE . 36.6 t-20 -41.54 -45.29 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.642 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 0.8 OUTLIER -88.88 -68.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.504 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 5.4 m-85 -35.01 -35.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -80.01 -52.4 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.35 -50.31 72.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.628 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -73.15 -70.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.54 HG21 ' CE2' ' A' ' 66' ' ' TRP . 2.2 mp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.452 ' N ' HG23 ' A' ' 12' ' ' VAL . 1.6 t30 -61.41 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -100.62 -55.19 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.432 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.38 -42.58 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.4 mt-10 -58.11 -22.96 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' ARG . 1.4 t -80.95 -58.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.445 ' HB2' ' N ' ' A' ' 43' ' ' SER . . . -43.48 -38.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -79.17 -35.15 42.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -59.55 -40.95 88.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.497 ' CG2' HD13 ' A' ' 20' ' ' LEU . 3.7 mt -64.6 -63.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' TYR . 60.0 m -56.71 -16.99 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 17.3 m -92.02 -37.93 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ARG . 7.6 tp10 -81.46 -54.17 5.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.686 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 55.5 mt -39.79 -88.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -91.9 -60.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.605 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER 168.04 -28.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 173.21 36.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER 164.07 77.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.501 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 0.9 OUTLIER -66.75 138.61 95.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.05 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 6.4 mp0 -40.52 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.96 -48.95 78.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.477 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 24.1 mm -68.77 -48.68 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.686 ' CE1' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -71.11 -0.74 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -91.71 -47.82 7.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.19 1.33 56.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -90.31 -77.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.466 ' CG2' ' H ' ' A' ' 35' ' ' LEU . 30.0 m -122.72 -61.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.568 HD21 ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.87 168.9 19.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 84.1 m -85.01 -43.85 13.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 37' ' ' ARG . 2.9 ptm180 -172.12 101.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -170.49 139.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HG2' ' CG ' ' A' ' 27' ' ' GLN . 1.3 pt20 -123.09 73.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 92.52 38.03 5.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.466 ' CG2' ' HE2' ' A' ' 65' ' ' MET . 0.0 OUTLIER -46.91 -21.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.422 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.632 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 33.5 mt -64.73 -57.19 9.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB2' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -62.75 -13.39 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.72 -55.92 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 2.5 tm? -70.82 -21.57 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 9' ' ' THR . 7.9 mp -76.32 -1.92 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.5 tmt_? -37.41 -35.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -91.46 146.96 34.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.78 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.09 106.25 4.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.47 13.32 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.3 m0 62.56 45.4 6.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 55' ' ' LEU . 1.2 t -79.33 -37.56 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.52 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER 47.0 65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -47.39 -44.55 24.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -50.62 -46.61 58.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.4 77.99 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -17.62 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -47.57 -35.81 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.459 ' CG2' HD22 ' A' ' 42' ' ' LEU . 29.9 m -59.0 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.416 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.632 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 5.3 m-85 -52.63 -59.48 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -41.84 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 9.9 mmt180 -64.96 -52.6 55.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.489 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -47.07 -48.75 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.624 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -59.19 -31.82 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 3.2 ttpp -51.65 -53.24 40.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.627 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -50.76 -57.97 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 107.982 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.567 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 2.2 mt -55.41 -35.73 65.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -77.24 2.39 15.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 146' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.5 0.191 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.5 m -97.91 158.4 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 1.1 t70 -86.71 -38.76 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.74 -47.53 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.486 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 79.5 mt-30 -59.29 -60.45 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.518 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -50.34 -21.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -80.35 -30.66 38.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.474 ' CG2' HG12 ' A' ' 133' ' ' ILE . 77.5 m -76.84 -57.76 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.581 ' HG ' ' CE2' ' A' ' 147' ' ' PHE . 5.2 tp -58.04 -52.08 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 21.4 t-160 -49.32 -40.97 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.62 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 124' ' ' ARG . 0.2 OUTLIER -74.55 -24.25 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.582 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 12.3 t80 -51.3 -23.75 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 174.79 106.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -176.04 -67.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 129' ' ' LEU . 16.2 mmtt -135.39 36.55 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -43.73 -51.82 15.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.553 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.01 -92.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.6 m 25.33 76.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.96 -38.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 129' ' ' LEU . 12.7 pt-20 -61.62 -46.98 87.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.0 OUTLIER -51.98 -55.73 18.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.476 ' HG2' ' CG2' ' A' ' 144' ' ' VAL . 0.4 OUTLIER -42.19 -39.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.6 mt -84.83 -27.13 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.2 m -63.42 -46.21 87.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.502 HG23 ' CD2' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.65 -53.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.496 ' N ' HG22 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -55.47 -36.37 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -79.66 -28.97 40.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.45 ' CG ' HD12 ' A' ' 137' ' ' LEU . 14.8 tp60 -52.22 -49.73 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.486 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 4.1 mp -126.52 33.69 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.426 ' C ' ' CD2' ' A' ' 139' ' ' LEU . . . -178.28 -127.91 1.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.426 ' CD2' ' C ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER 178.5 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.419 ' O ' ' OG ' ' A' ' 134' ' ' SER . 28.7 mp0 -75.01 174.13 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.406 ' C ' ' CD2' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -97.03 0.64 49.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.404 ' N ' HD23 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -48.22 -59.37 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 146' ' ' ASN . 3.1 t -53.55 -53.27 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.566 HG11 ' CD1' ' A' ' 148' ' ' PHE . 71.2 t -43.62 -47.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -57.3 -39.95 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 38.3 t-20 -45.36 -50.57 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.593 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -83.29 -68.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.577 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 6.2 m-85 -35.74 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 145' ' ' SER . 26.8 tpp -87.24 -44.4 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' PHE . 16.3 t30 -66.8 -49.36 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.593 ' HB1' ' CE1' ' A' ' 147' ' ' PHE . . . -76.91 -66.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.594 HG22 ' CZ2' ' A' ' 66' ' ' TRP . 1.5 mp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.522 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.5 OUTLIER 64.76 94.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.616 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -56.54 -44.84 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.408 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -66.56 -57.38 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.4 mt-10 -60.22 -21.73 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 8' ' ' ASN . 2.1 t -65.95 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 43' ' ' SER . . . -43.93 -55.61 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -63.63 -30.64 71.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 19' ' ' GLU . 5.6 mtt180 -64.84 -67.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.487 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 2.7 mp -41.5 -30.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.423 ' N ' ' C ' ' A' ' 15' ' ' ARG . 3.4 m -68.48 -48.39 64.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 15' ' ' ARG . 49.4 m -91.31 -3.48 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -91.84 -49.28 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.597 HD13 ' CE3' ' A' ' 68' ' ' TRP . 0.5 OUTLIER -65.39 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.8 ttpp -84.13 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 1.4 ptt85 163.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 174.14 36.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 167.11 76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 30' ' ' PHE . 1.5 tp -70.35 132.92 87.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.522 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . 5.2 mp0 -36.97 -56.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -38.9 -43.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.4 mp -71.98 -50.05 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.615 ' CD2' HG12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -64.78 -5.06 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -88.41 -47.37 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -3.99 58.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -91.09 -77.82 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.7 t -121.31 -80.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -59.52 177.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.8 t -96.39 -42.03 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttm105 -171.76 90.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.41 122.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.487 ' CG ' HG21 ' A' ' 25' ' ' ILE . 3.2 tm0? -101.02 80.64 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 89.71 40.94 5.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -42.87 -26.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.6 HD23 ' CD1' ' A' ' 62' ' ' PHE . 14.2 mt -71.22 -65.1 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -47.26 -32.73 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' THR . 1.7 t0 -55.17 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -74.33 -17.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.511 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -91.49 3.49 54.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.511 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.31 -42.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.9 m-80 -78.55 127.8 79.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 93.05 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 153.69 23.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 123.0 7.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 58.56 58.53 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 t -40.94 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.4 25.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 3.1 mm? -106.83 33.86 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -28.83 13.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.0 m -59.85 -52.3 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.47 70.32 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -16.66 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -35.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 7.4 t -73.91 -54.58 7.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.616 ' CE2' ' CG2' ' A' ' 9' ' ' THR . 0.2 OUTLIER -50.78 -51.95 45.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.596 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.7 ttt180 -54.41 -60.56 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -37.24 -40.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.18 -60.83 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CE3' ' HA ' ' A' ' 63' ' ' ARG . 2.7 m0 -46.57 -26.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -63.32 -50.89 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.597 ' CE3' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -47.53 -50.61 23.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.567 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.84 -36.6 83.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.38 -41.78 94.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' GLN . 10.1 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.545 ' CD2' ' ND2' ' A' ' 146' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.49 0.186 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.475 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 4.6 m -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -90.39 -47.25 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 111' ' ' GLN . 10.9 p -51.24 -51.05 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.493 ' CD ' ' N ' ' A' ' 112' ' ' ARG . 1.5 pp0? -53.07 -52.79 57.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.493 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 40.6 ttp180 -53.45 -18.45 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -42.84 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.49 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 8.8 m -77.86 -48.08 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.533 ' HB3' ' CB ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -47.7 -51.3 22.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.687 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 3.1 t-160 -59.98 -40.27 88.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.74 -18.71 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.433 HG12 ' CD2' ' A' ' 129' ' ' LEU . 0.7 OUTLIER -83.63 -36.94 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.5 OUTLIER -50.29 -28.19 7.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -78.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 175.52 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -152.81 -69.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.501 ' HB3' ' CB ' ' A' ' 129' ' ' LEU . 21.1 mtmt -140.95 37.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.529 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.2 OUTLIER -40.29 -49.5 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.692 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.04 -87.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 125' ' ' PRO . 4.3 m 6.64 79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.2 OUTLIER -39.2 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 132' ' ' THR . 4.1 tp10 -70.06 -50.41 41.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -39.38 -52.48 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 148' ' ' PHE . 0.8 OUTLIER -56.49 -42.7 78.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 135' ' ' GLN . 1.9 mp -81.88 -3.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 128' ' ' GLU . 35.8 m -90.03 -45.21 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.528 ' CD1' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.94 -42.15 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.426 ' HB3' ' CG2' ' A' ' 144' ' ' VAL . 2.1 p -67.52 -44.32 78.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 131' ' ' ILE . 61.2 tt0 -71.46 -32.39 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 132' ' ' THR . 54.8 tt0 -76.44 -45.38 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 38.16 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . 172.6 -117.56 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.14 -35.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.39 -171.92 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.4 pp -100.42 -7.59 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' SER . 0.2 OUTLIER -48.82 -61.06 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.438 ' OG1' ' CD ' ' A' ' 111' ' ' GLN . 0.5 OUTLIER -40.08 -53.4 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.741 ' CG1' ' CD2' ' A' ' 148' ' ' PHE . 25.0 t -50.42 -41.84 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.84 -38.29 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.545 ' ND2' ' CD2' ' A' ' 107' ' ' PHE . 8.7 t-20 -51.21 -52.85 40.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.687 ' CE1' ' HA ' ' A' ' 116' ' ' HIS . 3.1 t80 -78.99 -67.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.741 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 4.7 m-30 -34.4 -42.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -71.67 -51.88 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -55.48 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 147' ' ' PHE . . . -68.27 -70.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.568 HG21 ' CZ2' ' A' ' 66' ' ' TRP . 1.5 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.489 ' ND2' ' NE1' ' A' ' 52' ' ' TRP . 4.2 m120 -79.33 -174.39 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.475 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 1.2 m -95.3 -58.28 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -44.38 12.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -22.1 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 1.2 t -72.51 -61.24 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.483 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -43.62 -56.0 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.57 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.453 ' CD1' HG11 ' A' ' 12' ' ' VAL . 3.3 mt -38.81 -39.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.506 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 2.3 m -61.55 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' ARG . 88.9 m -90.78 -1.37 57.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -96.36 -27.85 14.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.666 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -85.4 -93.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -80.42 -6.95 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 84.56 -18.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.259 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 167.87 38.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -170.97 63.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 17' ' ' THR . 38.9 mm -59.23 115.93 14.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLN . 18.1 Cg_endo -75.0 83.65 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 2.9 mp0 -38.02 -42.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -63.67 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ARG . 39.7 mm -57.44 -57.08 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.69 -17.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -92.71 -34.42 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -92.13 -0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -91.52 -78.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' CG1' ' H ' ' A' ' 35' ' ' LEU . 7.2 p -123.24 -58.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.589 HD22 ' CE2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -61.52 166.6 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -90.36 -49.27 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 89.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -170.85 139.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -103.81 64.21 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' THR . . . 99.35 34.54 5.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -34.63 -36.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.669 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 1.8 mt -39.44 -49.33 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.443 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -68.94 -45.01 71.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -49.14 -59.42 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 1.3 pp -61.33 -21.06 63.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.35 1.73 52.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -41.42 -28.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 46' ' ' LEU . 7.2 p-10 -86.95 152.8 54.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.0 OUTLIER -156.55 85.89 3.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.79 11.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.807 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.489 ' NE1' ' ND2' ' A' ' 8' ' ' ASN . 5.4 m0 54.53 53.79 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 50' ' ' LYS . 31.1 t -90.12 -41.61 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 75.75 17.81 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER 39.43 68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -47.96 -44.6 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 m -97.0 59.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.52 55.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -43.36 56.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.3 -32.92 51.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -58.64 -66.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.669 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 2.0 m-85 -43.09 -52.97 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' TRP . 10.7 ttm180 -54.48 -54.59 38.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -36.63 -42.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -47.77 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.617 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 2.6 m0 -54.71 -30.45 56.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.065 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.97 -54.13 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 1.1 t90 -46.74 -52.42 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.515 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 3.5 mt -50.45 -47.76 56.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -71.76 -75.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.514 0.197 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.488 HG21 ' CG2' ' A' ' 110' ' ' VAL . 9.5 t -106.11 175.29 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -92.02 -46.87 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.488 ' CG2' HG21 ' A' ' 108' ' ' THR . 15.9 m -40.46 -49.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.552 ' NE2' ' CG2' ' A' ' 143' ' ' THR . 0.0 OUTLIER -70.08 -55.33 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.2 ptt180 -54.08 -16.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -82.01 -39.92 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.535 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 16.3 m -74.6 -55.86 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.616 HD22 ' CE1' ' A' ' 148' ' ' PHE . 0.3 OUTLIER -55.12 -36.15 65.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.625 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 30.6 t-80 -67.11 -31.68 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.16 -18.15 61.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.506 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 0.9 OUTLIER -75.98 -44.7 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -41.74 -27.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 118' ' ' ILE . 10.4 mmtt -68.5 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -179.25 104.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.34 -62.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -160.13 41.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 18.6 mtm180 -58.17 -42.63 95.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.01 56.43 4.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 m -153.41 105.89 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.44 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.414 ' O ' ' OG1' ' A' ' 132' ' ' THR . 0.0 OUTLIER -66.27 -30.79 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.476 ' CD1' HD13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -61.5 -53.72 52.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.573 ' HG3' ' CE2' ' A' ' 148' ' ' PHE . 0.4 OUTLIER -49.68 -36.16 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.425 HG13 ' NE2' ' A' ' 130' ' ' GLN . 1.1 mp -83.56 -24.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 128' ' ' GLU . 49.7 m -68.05 -48.47 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.56 ' C ' ' CD1' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -66.16 -44.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 139' ' ' LEU . 2.2 p -58.59 -40.29 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -80.54 -21.14 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -62.42 -42.17 99.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.37 23.54 6.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . 177.31 -120.42 0.73 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 168.85 -32.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -76.8 146.59 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.17 -6.83 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.9 m -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.552 ' CG2' ' NE2' ' A' ' 111' ' ' GLN . 15.2 p -65.72 -49.19 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.514 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 47.8 t -41.62 -53.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -52.48 -44.88 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 145' ' ' SER . 20.1 t-20 -36.77 -49.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.742 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 6.3 t80 -91.65 -69.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.616 ' CE1' HD22 ' A' ' 115' ' ' LEU . 1.2 m-30 -34.5 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -87.58 -49.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . 0.425 ' N ' ' HE3' ' A' ' 149' ' ' MET . 9.0 t30 -65.09 -45.99 82.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.742 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -79.44 -62.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.567 HG23 ' CZ3' ' A' ' 66' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.605 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER 74.92 161.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.593 ' C ' HG11 ' A' ' 12' ' ' VAL . 11.6 p -102.3 -39.13 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 25.8 tttt -90.35 -49.2 6.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.2 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.605 ' CG1' ' O ' ' A' ' 8' ' ' ASN . 6.3 p -67.46 -47.61 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.51 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -50.15 -58.65 5.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.59 -45.38 93.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 1.3 mtp85 -51.85 -32.65 32.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.541 ' CD1' HD23 ' A' ' 42' ' ' LEU . 9.4 mt -65.52 -63.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -55.29 -25.67 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -91.08 -19.58 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 2.4 mm-40 -93.82 -16.39 24.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.577 HD11 ' CE3' ' A' ' 68' ' ' TRP . 1.2 mt -90.22 -93.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -91.46 1.15 57.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 88.02 -24.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 164.48 37.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 178.24 72.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -91.49 140.85 25.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.06 85.71 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.55 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.18 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.68 -51.23 70.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' PRO . 11.1 mt -76.14 -44.28 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CZ ' ' HE1' ' A' ' 65' ' ' MET . 1.3 t80 -66.94 -4.65 10.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -91.16 -52.08 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.55 0.4 55.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -66.81 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 68' ' ' TRP . 90.2 t -120.33 -73.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -109.51 149.51 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -51.82 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.337 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HB3' ' CG2' ' A' ' 41' ' ' THR . 9.0 mmt85 -59.96 150.25 29.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 48.8 m -167.81 -178.35 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 78.31 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.09 31.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -51.76 -20.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.458 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.629 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 1.1 mp -66.14 -54.33 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.478 ' N ' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -56.55 -17.67 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -56.81 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -15.63 57.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.1 mm? -91.53 -6.53 52.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.4 ttt180 -38.18 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.508 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -59.04 178.24 0.22 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.02 58.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.575 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER 31.69 56.53 1.07 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 16.23 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.522 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 5.3 m-90 71.28 40.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' TRP . 3.2 t -36.74 -66.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 69.84 18.34 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.623 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm? 38.3 74.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -62.42 -32.51 73.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -84.48 50.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.77 58.91 0.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -50.18 -29.65 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.15 -29.71 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.9 m -66.53 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -42.46 -54.04 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.7 ttt-85 -64.84 -54.92 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HB3' ' CD2' ' A' ' 35' ' ' LEU . 6.4 mtt180 -36.95 -38.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.572 ' HE1' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -68.17 -51.62 43.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 2.0 m0 -54.96 -24.61 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 2.2 mttt -76.18 -31.05 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.577 ' CE3' HD11 ' A' ' 20' ' ' LEU . 5.8 t90 -62.39 -44.07 97.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.31 -20.78 29.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 3.1 tp60 -50.9 -61.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' GLN . 22.8 mm-40 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.467 0.175 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.424 ' HB ' ' NE2' ' A' ' 111' ' ' GLN . 35.7 m -107.96 152.17 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.52 -38.35 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.421 ' CG1' HD22 ' A' ' 137' ' ' LEU . 58.4 t -59.12 -46.81 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 137' ' ' LEU . 0.7 OUTLIER -67.75 -58.63 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.511 ' NH2' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -50.38 -21.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.21 -37.67 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.482 ' CG2' HG12 ' A' ' 133' ' ' ILE . 30.9 m -67.86 -59.59 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.501 ' HB3' ' CD2' ' A' ' 147' ' ' PHE . 3.3 tp -56.45 -45.86 80.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.61 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 20.8 t-80 -53.79 -28.72 36.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.21 -21.6 46.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.45 ' CG2' ' HA ' ' A' ' 124' ' ' ARG . 27.5 mm -70.87 -45.24 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.5 t80 -38.31 -35.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -56.19 -68.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.8 mt-10 165.99 101.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -154.01 -70.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -139.47 15.54 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 1.3 ttp180 -34.51 -53.55 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.98 67.77 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 36.6 m -165.05 89.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.82 -32.91 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -37.09 86.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.0 OUTLIER -61.39 -52.49 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.485 ' HG2' ' CG2' ' A' ' 144' ' ' VAL . 3.3 tm0? -46.46 -35.92 6.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.5 mt -86.17 -24.6 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 97.9 m -68.09 -47.85 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -65.37 -45.9 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.516 ' N ' HG22 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -63.54 -36.92 85.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.65 -8.32 58.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -46.52 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.454 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 1.9 mp -127.59 28.5 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -171.03 -121.3 0.58 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.5 OUTLIER 170.92 -40.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -78.85 161.0 27.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.54 0.43 54.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -56.67 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 146' ' ' ASN . 2.3 t -52.6 -52.89 53.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.529 ' CG1' ' CD1' ' A' ' 148' ' ' PHE . 62.9 t -41.64 -46.9 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.27 -44.26 75.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -42.35 -45.51 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.61 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.2 t80 -90.34 -71.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.529 ' CD1' ' CG1' ' A' ' 144' ' ' VAL . 5.0 m-85 -34.3 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -82.55 -51.68 7.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 147' ' ' PHE . 28.1 t30 -62.99 -47.95 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.595 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -77.54 -66.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.56 HG13 ' N ' ' A' ' 8' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.56 ' N ' HG13 ' A' ' 7' ' ' ILE . 2.6 m-20 157.27 166.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.571 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 60.5 p -103.21 -46.45 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.65 -39.38 9.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -30.19 69.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' A' ' 7' ' ' ILE . 7.1 p -67.17 -55.02 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.479 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -45.28 -40.32 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -78.34 -36.53 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -63.37 -30.22 71.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.481 ' CD1' HD23 ' A' ' 42' ' ' LEU . 6.0 mt -69.96 -52.91 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' TYR . 89.2 m -69.71 -21.6 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 m -91.57 -27.76 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 7.3 tt0 -85.65 -54.91 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.693 ' CD1' ' CE3' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -46.15 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.4 tmtt? -90.21 -57.67 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.57 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 157.79 -23.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER 170.92 37.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER 164.91 75.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.038 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.532 HG12 ' CD2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -67.39 137.95 93.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.51 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.4 Cg_endo -74.96 106.38 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.3 mp0 -35.02 -68.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -31.97 -50.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' ' 26' ' ' PRO . 1.6 mp -59.5 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CD1' ' CD1' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -60.92 -10.83 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -92.41 -36.31 13.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -91.98 -12.31 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.429 ' HG2' ' NE1' ' A' ' 68' ' ' TRP . 5.6 mpt_? -79.47 -82.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.43 -54.87 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.522 HD21 ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -69.48 169.98 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 1.4 t -95.49 -40.41 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.12 92.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 m -166.28 131.94 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.462 ' OE1' ' CG ' ' A' ' 27' ' ' GLN . 6.9 pm0 -127.62 69.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.33 28.95 6.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -50.94 -19.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.625 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mp -69.12 -52.12 31.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB3' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -55.5 -20.51 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.982 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -59.05 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -20.32 64.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 62' ' ' PHE . 2.8 mm? -85.48 -20.75 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -39.52 -35.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' ND2' ' HD3' ' A' ' 50' ' ' LYS . 33.8 p30 -66.04 146.38 99.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 70.93 5.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HD3' ' ND2' ' A' ' 48' ' ' ASN . 2.5 mtpp -133.37 90.06 30.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 126.8 10.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.515 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 0.6 OUTLIER 70.69 50.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 4.7 t -84.37 -60.65 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 90.04 43.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 38.21 55.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -26.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 55' ' ' LEU . 12.5 m -100.16 62.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.82 61.87 0.51 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.11 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -47.91 -42.97 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 3.0 m -53.59 -55.75 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.625 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -45.53 -35.97 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.5 ttp85 -76.39 -31.25 57.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -61.4 -33.62 73.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.567 ' HE3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.27 -58.63 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.542 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 3.7 m0 -46.63 -27.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -64.88 -53.34 48.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.8 t90 -47.09 -49.49 21.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.588 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 22.2 mt -54.7 -40.55 69.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -79.07 -77.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.443 ' N ' ' HB3' ' A' ' 142' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.528 0.204 . . . . 0.0 111.033 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.425 ' HB ' ' NE2' ' A' ' 111' ' ' GLN . 4.7 m -117.99 171.61 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.48 -42.04 11.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.2 t -50.1 -51.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.465 ' CA ' HD11 ' A' ' 133' ' ' ILE . 6.4 mt-30 -64.23 -57.35 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 3.9 tmm_? -44.13 -26.69 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 111' ' ' GLN . 5.1 mtp180 -76.32 -43.5 40.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.489 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 39.4 m -61.12 -61.89 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 4.2 tp -55.1 -41.48 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.601 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 41.7 t60 -53.89 -27.99 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.39 -22.2 30.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 0.3 OUTLIER -66.68 -44.67 89.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.572 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.3 t80 -40.81 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.33 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 1.1 pt-20 161.67 111.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 17.0 t30 -176.55 -76.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.513 ' O ' ' CD1' ' A' ' 129' ' ' LEU . 18.1 mmtt -133.36 35.36 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 63.6 mtm180 -56.34 -41.18 89.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.96 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.0 m -27.6 92.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.3 mmtt -46.89 -32.78 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 131' ' ' ILE . 21.1 tp10 -66.07 -54.24 28.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -42.16 -45.57 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.558 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 11.3 tt0 -55.12 -43.1 73.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' GLU . 19.1 mm -84.06 -11.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 67.7 m -75.76 -43.12 48.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.512 HG23 ' N ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -72.81 -47.3 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.512 ' N ' HG23 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -56.32 -38.23 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -84.43 -27.79 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.451 ' CG ' HD22 ' A' ' 137' ' ' LEU . 2.8 tp-100 -47.26 -50.41 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.7 OUTLIER -113.73 -26.21 8.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -115.66 -136.05 5.88 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.48 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.444 ' O ' ' OG ' ' A' ' 134' ' ' SER . 0.4 OUTLIER -76.58 -179.44 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.5 pp -100.49 2.95 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.443 ' HB3' ' N ' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -49.77 -59.72 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 146' ' ' ASN . 1.4 t -48.67 -57.07 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.606 ' CG1' ' CD1' ' A' ' 148' ' ' PHE . 62.2 t -40.75 -41.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.6 OUTLIER -58.94 -47.43 85.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 143' ' ' THR . 28.4 t-20 -43.13 -42.82 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.647 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.4 t80 -87.59 -73.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.606 ' CD1' ' CG1' ' A' ' 144' ' ' VAL . 7.0 m-85 -35.17 -33.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -79.69 -53.29 6.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -65.11 -49.29 70.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.647 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -70.53 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.586 HG21 ' CZ2' ' A' ' 66' ' ' TRP . 2.6 mp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 12' ' ' VAL . 1.1 t30 -79.57 -165.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.507 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 1.8 m -103.99 -55.88 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -82.35 -49.96 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -57.51 -25.28 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -77.67 -59.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -45.73 -53.66 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.97 -25.51 68.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -63.99 -65.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.493 ' CG2' HD21 ' A' ' 20' ' ' LEU . 2.5 mp -46.77 -29.03 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.496 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 1.1 m -69.1 -49.87 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -90.34 -1.46 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -92.55 -56.37 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.692 ' CD1' ' CE3' ' A' ' 68' ' ' TRP . 1.8 mp -55.57 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 21' ' ' LYS . 3.4 tmtt? -87.99 -63.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.594 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 160.21 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 3.6 m-85 -179.89 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 m -162.62 65.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 20' ' ' LEU . 24.3 mm -57.4 116.09 12.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HB2' ' CG1' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.91 96.02 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -43.08 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.09 64.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.471 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 28.6 mm -84.39 -55.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' ' HE3' ' A' ' 65' ' ' MET . 0.1 OUTLIER -64.47 -9.66 20.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.15 -42.35 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -92.14 -4.39 54.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 12.2 mmt-85 -88.75 -81.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -123.16 -61.83 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 30' ' ' PHE . 3.2 mp -59.36 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -57.58 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.78 88.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.9 p -171.54 124.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 pp0? -107.77 71.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' SER . . . 112.97 30.0 2.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -27.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.578 HD22 ' CD1' ' A' ' 62' ' ' PHE . 20.0 mt -67.02 -49.65 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLY . 23.9 m -65.84 -11.65 48.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -90.93 -41.11 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -82.57 -19.66 38.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 9' ' ' THR . 6.3 mp -80.95 -2.7 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.94 -38.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' CE ' ' A' ' 50' ' ' LYS . 14.2 p30 -77.3 135.31 65.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.546 ' CE ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -147.5 119.25 4.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.32 9.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.5 m0 66.45 59.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 55' ' ' LEU . 41.0 t -74.9 -10.65 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.03 32.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 41.95 75.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -45.1 18.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.52 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -146.91 97.99 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -45.91 -35.65 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.29 -32.24 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.8 m -59.21 -65.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 64' ' ' ARG . 6.2 ttt180 -62.22 -60.27 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.422 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -37.23 -33.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.555 ' HE3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -71.88 -54.64 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -57.15 -24.83 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.9 -48.05 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.9 t90 -51.07 -49.84 59.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 HD21 ' CD1' ' A' ' 20' ' ' LEU . 29.3 mt -47.0 -45.97 21.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -85.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.5 0.191 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 m -96.4 151.85 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.27 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.31 -45.41 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.49 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 1.4 mp0 -67.96 -58.59 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -53.98 -24.03 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -71.49 -37.53 71.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.452 ' CG2' HG12 ' A' ' 133' ' ' ILE . 7.5 m -70.06 -59.37 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.573 HD22 ' CE1' ' A' ' 148' ' ' PHE . 10.5 tp -56.11 -47.38 78.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.601 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 16.3 t60 -48.23 -39.9 22.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.14 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.537 ' CG2' ' HA ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -69.59 -20.18 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.615 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -52.52 -19.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.76 66.48 1.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.48 ' CB ' HD11 ' A' ' 118' ' ' ILE . 0.7 OUTLIER -149.7 -80.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 0.8 OUTLIER 159.35 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.547 ' O ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER 165.38 48.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 10.1 mtm105 -79.91 -40.83 1.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.97 -95.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 125' ' ' PRO . 2.2 m 26.57 85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -26.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 126' ' ' SER . 8.3 tp10 -72.6 -41.72 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -61.68 -61.87 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 4.0 pt20 -40.13 -40.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.9 mt -78.89 -35.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 129' ' ' LEU . 54.6 m -57.93 -58.8 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.52 HG22 ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -51.11 -57.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 0.8 OUTLIER -49.21 -58.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 135' ' ' GLN . 4.9 tt0 -56.46 -30.1 62.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 10.6 tt0 -50.28 -60.03 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 136' ' ' GLN . 0.3 OUTLIER -114.89 27.24 9.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -179.59 -125.8 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.542 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER 160.71 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 134' ' ' SER . 3.1 tp10 176.44 166.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.237 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -92.82 0.38 57.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.27 -63.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.978 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 2.8 t -46.84 -47.08 21.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.641 ' CG1' ' CD2' ' A' ' 148' ' ' PHE . 66.2 t -44.69 -51.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.62 -32.65 63.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 143' ' ' THR . 19.8 t-20 -52.55 -49.92 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.625 ' CE1' ' HB2' ' A' ' 151' ' ' ALA . 0.2 OUTLIER -87.92 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.641 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 3.7 m-30 -33.48 -36.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -88.18 -51.64 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 146' ' ' ASN . 4.0 m-20 -55.54 -41.6 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.625 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . . . -89.63 -75.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.62 ' CG2' ' CZ3' ' A' ' 66' ' ' TRP . 2.9 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.443 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 32.3 m-80 -116.07 -172.89 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.642 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 22.3 p -104.18 -56.4 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.364 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -92.36 -38.02 12.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -70.22 -24.05 63.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -78.22 -50.82 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.514 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -44.09 -52.29 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -27.37 66.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.6 -64.52 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.508 ' CG2' HD22 ' A' ' 20' ' ' LEU . 3.7 mt -39.03 -44.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.9 m -56.15 -48.43 76.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' ARG . 23.6 m -90.76 -1.16 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.34 -52.8 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.633 HD12 ' CE3' ' A' ' 68' ' ' TRP . 1.8 mm? -55.08 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 4.7 tmtm? -90.93 -61.78 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.588 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 4.0 tpt85 166.57 -28.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 170.84 36.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m 174.6 73.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.588 HG12 ' CD2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -81.19 140.62 49.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.505 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 90.58 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.478 ' CB ' ' HB2' ' A' ' 38' ' ' SER . 5.8 mp0 -41.55 -28.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.13 -45.86 92.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -78.95 -51.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.617 ' CZ ' ' CE ' ' A' ' 65' ' ' MET . 0.6 OUTLIER -56.13 -14.51 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 35' ' ' LEU . . . -90.63 -39.04 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -92.57 3.03 56.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' CD ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -89.57 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.6 t -117.17 -85.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -90.79 176.4 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -93.55 -44.06 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.482 ' HB3' ' CB ' ' A' ' 41' ' ' THR . 12.7 mtt-85 -64.55 112.23 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -116.6 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 71.9 46.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 49.85 41.26 35.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.482 ' CB ' ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -37.99 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.553 HD23 ' CD1' ' A' ' 62' ' ' PHE . 17.2 mt -56.66 -64.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.491 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -41.78 -50.09 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 80.8 m-20 -50.13 -61.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.08 -23.29 54.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -84.82 4.92 30.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -32.34 -38.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' LEU . 7.0 p-10 -85.22 143.35 39.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 100.77 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -140.89 107.29 6.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 128.61 11.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.526 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 13.0 m0 47.73 52.02 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.7 t -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 91.93 32.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.458 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 39.85 74.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -40.19 -40.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.63 -53.46 30.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.64 105.78 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -62.88 -15.66 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.9 p -49.54 -53.56 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.642 ' CZ ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -50.14 -62.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -57.8 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HB3' ' CD2' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -41.53 -35.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.617 ' CE ' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -72.06 -56.82 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.62 ' CZ3' ' CG2' ' A' ' 7' ' ' ILE . 1.8 m0 -54.85 -22.71 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -44.8 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.633 ' CE3' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -50.04 -53.6 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.502 HD21 ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -59.11 -39.86 83.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -57.37 10.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.472 0.177 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -118.47 166.6 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.07 -37.7 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.33 -51.14 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' THR . 1.0 OUTLIER -57.16 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -45.6 -32.43 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.474 ' CG2' HG13 ' A' ' 133' ' ' ILE . 49.8 m -68.72 -60.61 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 6.6 tp -57.14 -43.65 82.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.655 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 6.4 t-80 -51.81 -33.95 37.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.63 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.66 -22.79 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.46 HG13 ' CD1' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -69.46 -40.12 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.589 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 0.6 OUTLIER -42.73 -32.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.9 mttm -49.23 -65.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.1 mt-10 162.89 107.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.25 -65.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.506 ' O ' ' CD2' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -148.8 47.03 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 26.9 mtm105 -52.5 -43.95 93.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.644 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -74.99 -90.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.644 ' C ' ' O ' ' A' ' 125' ' ' PRO . 14.4 m 15.02 75.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 126' ' ' SER . 2.0 mmtm -39.68 -34.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.86 -50.74 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -44.19 -56.74 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.518 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.0 OUTLIER -43.75 -46.59 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.0 mt -74.85 -26.05 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' ' 129' ' ' LEU . 6.8 m -65.06 -53.08 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.483 HG22 ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.01 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.471 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 1.0 OUTLIER -48.63 -55.56 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.78 -24.29 66.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.0 tt0 -51.35 -57.85 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 mp -116.86 14.46 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.358 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 139' ' ' LEU . . . -147.27 -143.13 3.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 138' ' ' GLY . 12.0 mt -151.03 -46.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.403 ' O ' ' OG ' ' A' ' 134' ' ' SER . 0.1 OUTLIER -88.23 177.69 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.74 1.4 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.33 -54.48 5.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 134' ' ' SER . 1.2 t -51.1 -54.62 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.566 HG12 ' CD1' ' A' ' 148' ' ' PHE . 57.4 t -44.39 -43.66 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.4 OUTLIER -56.18 -40.8 74.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 143' ' ' THR . 55.0 t-20 -49.81 -54.08 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.6 t80 -73.99 -65.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.566 ' CD1' HG12 ' A' ' 144' ' ' VAL . 3.8 m-85 -40.0 -27.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.8 ttp -87.71 -53.52 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . 0.426 ' N ' ' HE1' ' A' ' 149' ' ' MET . 0.5 OUTLIER -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -78.48 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' PHE . 46.7 ttt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.515 HG22 ' CE2' ' A' ' 66' ' ' TRP . 1.3 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.01 179.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.454 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -101.41 -44.86 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -91.89 -36.31 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.59 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 5.4 p -68.46 -44.46 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 42' ' ' LEU . . . -59.54 -59.08 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -26.75 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 19' ' ' GLU . 16.3 ttt180 -67.5 -64.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 12' ' ' VAL . 3.4 mt -40.74 -32.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 1.1 m -68.03 -48.84 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' ARG . 8.7 m -89.18 -1.43 58.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.05 -41.14 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.607 ' CD1' ' CE3' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -76.42 -87.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.3 tmtt? -79.72 -67.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.551 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 166.43 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 174.0 36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m 174.88 72.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.524 HD11 ' CB ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.58 137.44 88.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.614 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 96.2 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -41.25 -28.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -65.43 -36.6 84.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.614 ' N ' ' O ' ' A' ' 26' ' ' PRO . 34.5 mm -76.51 -54.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' HE1' ' A' ' 65' ' ' MET . 0.1 OUTLIER -64.99 -7.29 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -90.28 -41.38 11.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -92.42 -7.31 47.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.31 -80.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.43 ' CG2' ' H ' ' A' ' 35' ' ' LEU . 22.9 m -123.56 -59.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' CD2' ' HE1' ' A' ' 65' ' ' MET . 0.0 OUTLIER -66.9 160.14 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -77.19 -53.05 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -168.66 96.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -170.3 127.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 1.2 pp0? -110.65 57.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 116.07 29.18 2.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.465 ' CG2' ' HE2' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.9 -28.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 62' ' ' PHE . 23.7 mt -64.04 -57.53 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.7 m -64.17 -12.85 44.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -85.94 -48.84 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -75.56 -20.0 58.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 10' ' ' LYS . 7.7 mp -80.3 0.33 33.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -35.9 -58.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.17 155.33 92.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.424 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.0 109.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -157.12 93.64 2.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.28 13.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.3 m0 63.58 38.97 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -65.37 -42.93 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 66.78 10.19 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 49.72 64.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -45.76 -45.3 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.0 87.58 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -71.29 -36.62 71.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 0.763 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -53.53 -35.89 61.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -55.9 -66.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -40.61 -39.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ARG . 2.1 ttt180 -66.96 -58.37 5.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' ARG . 70.3 mtt-85 -37.58 -40.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.603 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -65.79 -59.01 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 1.8 m0 -51.38 -26.99 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -69.02 -35.0 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.607 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 7.1 t90 -56.81 -43.51 81.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -85.09 -34.35 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 66' ' ' TRP . 5.0 tt0 -78.65 2.67 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.4 mm-40 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.422 ' CE1' ' CG ' ' A' ' 146' ' ' ASN . 6.6 t80 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.486 0.184 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.5 m -110.57 147.59 33.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -75.48 -47.46 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.1 t -55.89 -48.51 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -61.62 -60.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -21.67 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.7 OUTLIER -75.46 -35.82 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.537 ' CG2' HG13 ' A' ' 133' ' ' ILE . 35.1 m -77.57 -53.12 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -55.48 -43.66 75.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.662 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 38.3 t60 -57.18 -41.77 79.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.35 -18.37 64.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 120' ' ' LYS . 0.6 OUTLIER -73.68 -42.0 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -37.31 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -106.22 -39.65 5.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -37.44 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 7.1 p-10 154.54 -20.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 129' ' ' LEU . 20.1 mtmt -83.91 17.44 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.628 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -52.6 -44.0 93.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.2 Cg_endo -75.03 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.602 ' C ' ' O ' ' A' ' 125' ' ' PRO . 19.3 m -21.38 94.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 131' ' ' ILE . 0.3 OUTLIER -51.18 -25.02 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.81 -25.88 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -72.68 -55.58 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.542 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -54.23 -32.0 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 24.4 mt -83.98 -31.33 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 m -64.75 -46.78 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.537 HG13 ' CG2' ' A' ' 114' ' ' THR . 0.0 OUTLIER -72.97 -56.7 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 144' ' ' VAL . 39.1 p -48.17 -34.87 10.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.03 -23.29 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -50.57 -55.27 16.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 mp -123.1 22.92 9.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -160.34 -130.62 1.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 176.76 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.21 164.8 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 144' ' ' VAL . 0.3 OUTLIER -89.09 0.27 56.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.41 -55.89 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 3.1 t -60.47 -48.01 83.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 79.3 t -40.87 -55.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -51.44 -41.73 61.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 143' ' ' THR . 34.9 t-20 -41.07 -50.68 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.708 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 2.4 t80 -91.29 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.57 ' CD1' HD11 ' A' ' 115' ' ' LEU . 1.7 m-30 -34.53 -34.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -87.0 -50.25 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.17 -45.34 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.708 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.97 -63.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.587 HG23 ' CE3' ' A' ' 66' ' ' TRP . 1.9 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.43 -171.1 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.525 ' O ' ' CZ ' ' A' ' 62' ' ' PHE . 1.2 m -102.36 -47.34 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.77 -42.77 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -32.05 72.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG2' ' NE1' ' A' ' 66' ' ' TRP . 7.5 p -55.13 -55.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.512 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -47.23 -58.4 4.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.9 -21.49 63.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -73.14 -58.53 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mt -43.4 -33.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.538 ' HA ' ' CG1' ' A' ' 25' ' ' ILE . 85.6 m -69.3 -50.63 44.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -82.74 -2.65 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.68 -60.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.62 ' HG ' ' CZ3' ' A' ' 68' ' ' TRP . 1.4 mp -56.89 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -85.65 -75.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.547 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 173.55 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER 177.42 35.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -162.42 61.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.06 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.538 ' CG1' ' HA ' ' A' ' 17' ' ' THR . 17.4 mm -58.83 120.46 46.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.01 85.1 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -29.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.29 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -78.69 -46.15 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 39' ' ' GLN . 4.4 t80 -59.65 -13.3 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 35' ' ' LEU . . . -89.27 -54.39 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -79.81 1.15 27.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HG3' ' CG2' ' A' ' 29' ' ' ILE . 4.1 mmm180 -90.04 -67.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.633 ' CG2' ' CD1' ' A' ' 68' ' ' TRP . 21.8 t -114.49 -76.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' ' CE ' ' A' ' 65' ' ' MET . 0.4 OUTLIER -127.15 145.26 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -42.11 37.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.61 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.509 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 41.3 t -59.19 148.22 32.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -39.0 -42.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -41.46 -24.75 0.14 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 39' ' ' GLN . 3.1 t -57.04 -35.42 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -72.93 -58.31 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.3 p -65.67 -9.41 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' GLY . 4.2 m-20 -73.79 -53.9 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.52 -19.97 51.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -91.18 0.52 57.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' LEU . 9.3 ttt85 -33.74 -40.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -74.73 131.44 79.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 86.64 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -129.45 144.3 52.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.621 ' HB2' ' CE3' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 112.49 3.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.621 ' CE3' ' HB2' ' A' ' 51' ' ' PRO . 2.8 m-90 44.75 90.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 4.1 t -89.13 -40.4 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER 81.06 83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -38.38 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -65.45 -24.67 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.417 ' CB ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -56.37 -48.77 76.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -177.55 107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -11.28 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.68 -56.24 11.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.425 ' O ' ' SD ' ' A' ' 65' ' ' MET . 9.0 t -48.06 -34.55 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -58.68 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 66' ' ' TRP . 8.8 ttt180 -60.48 -33.28 72.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 67' ' ' LYS . 32.7 mmt180 -53.4 -63.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.148 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.495 ' SD ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -45.9 -44.33 14.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 6.8 m0 -53.54 -31.44 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ARG . 5.5 mtpp -61.94 -45.69 92.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.633 ' CD1' ' CG2' ' A' ' 34' ' ' VAL . 1.8 t90 -45.17 -46.1 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.976 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 20' ' ' LEU . 27.9 mt -52.88 -41.76 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -60.63 -42.43 96.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.433 ' N ' HG23 ' A' ' 143' ' ' THR . 66.2 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.554 0.216 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.3 m -113.23 160.59 18.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 7.8 p-10 -87.26 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 56.2 t -56.58 -38.17 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.514 ' HA ' ' CD1' ' A' ' 133' ' ' ILE . 5.6 tm0? -62.4 -59.52 4.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 1.9 tmm_? -58.66 -30.99 67.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -54.53 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.462 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 20.4 m -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.519 ' HB3' ' CD2' ' A' ' 147' ' ' PHE . 5.1 tp -51.14 -45.59 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.579 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 25.0 t60 -52.47 -27.73 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.9 -22.9 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.515 ' CD1' ' CB ' ' A' ' 122' ' ' ASN . 0.4 OUTLIER -67.81 -43.23 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.582 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.2 t80 -39.69 -28.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.14 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.426 ' HA ' ' NE ' ' A' ' 124' ' ' ARG . 25.3 tt0 179.6 105.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.515 ' CB ' ' CD1' ' A' ' 118' ' ' ILE . 1.2 m-20 -165.85 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.534 ' HB3' ' CB ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -142.71 41.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.668 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 16.7 mtm180 -58.83 -41.47 88.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.97 -49.87 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 125' ' ' PRO . 16.0 m -38.4 92.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.2 tmtp? -45.33 -39.52 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 131' ' ' ILE . 1.8 mm-40 -58.7 -51.3 70.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -44.51 -49.08 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.572 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -50.35 -37.82 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 128' ' ' GLU . 3.8 mt -84.41 -25.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 129' ' ' LEU . 62.4 m -59.95 -48.95 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.528 ' CG2' ' N ' ' A' ' 134' ' ' SER . 0.2 OUTLIER -68.6 -55.49 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.528 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.3 OUTLIER -49.95 -33.6 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.19 -25.4 27.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.82 -18.46 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -138.59 22.78 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 172.24 -117.36 0.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.4 OUTLIER 174.47 -34.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.97 160.01 28.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.17 1.54 54.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -57.06 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.493 ' HG1' ' NE2' ' A' ' 111' ' ' GLN . 18.0 p -51.37 -49.5 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.582 HG11 ' CD1' ' A' ' 148' ' ' PHE . 55.9 t -42.74 -48.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.85 -40.93 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 143' ' ' THR . 54.2 t-20 -43.64 -51.2 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 119' ' ' PHE . 0.8 OUTLIER -84.76 -66.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.582 ' CD1' HG11 ' A' ' 144' ' ' VAL . 4.5 m-85 -35.5 -33.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -90.45 -47.0 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . 0.407 ' N ' ' HE3' ' A' ' 149' ' ' MET . 8.3 t30 -61.35 -43.92 98.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.551 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -81.23 -47.95 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.544 HG23 ' CE2' ' A' ' 66' ' ' TRP . 7.9 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER 80.84 169.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -102.83 -37.24 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -100.46 -44.98 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 1.6 mt-10 -63.99 -21.5 66.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 ' NE1' ' A' ' 66' ' ' TRP . 13.3 p -69.39 -57.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.509 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -48.39 -56.53 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -37.99 86.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 16.1 mtt-85 -56.13 -44.22 78.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.485 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 4.5 mt -53.44 -62.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 m -55.8 -55.41 32.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 22' ' ' ARG . 26.1 m -59.06 -20.33 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 2.1 tt0 -94.17 -17.12 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.568 ' HG ' ' CZ3' ' A' ' 68' ' ' TRP . 3.6 mp -91.19 -93.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -89.41 -0.74 57.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 87.31 -26.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 163.79 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -174.63 61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.594 HG12 ' CD2' ' A' ' 30' ' ' PHE . 1.6 tp -81.81 138.85 46.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.4 Cg_endo -75.01 82.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.12 -30.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -59.5 -53.03 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -75.25 -49.12 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.3 t80 -58.27 -11.74 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -89.0 -43.71 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.93 0.49 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' CD ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -78.21 -68.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.39 -75.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.429 HD12 ' CE ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -104.68 153.04 21.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.02 -50.26 74.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.434 ' CB ' HG23 ' A' ' 41' ' ' THR . 22.1 mtt180 -59.67 142.47 52.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.484 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 34.3 m -156.32 -179.08 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 73.48 40.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.28 34.46 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.434 HG23 ' CB ' ' A' ' 37' ' ' ARG . 2.1 t -48.07 -39.45 20.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.673 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -44.54 -43.04 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -72.17 -38.32 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 6.5 t70 -61.07 -56.57 19.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 55' ' ' LEU . 2.7 pp -63.77 -23.33 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 47' ' ' ARG . 16.3 mt -80.58 2.77 24.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.1 tpt180 -29.38 -46.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -66.9 122.29 81.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -149.46 135.55 10.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.88 5.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 61.16 64.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.48 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 1.2 t -68.67 -44.57 73.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 46.91 32.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER 39.12 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -19.86 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.7 m -113.34 36.78 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.33 60.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -39.28 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.27 -43.71 74.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.9 m -50.78 -62.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -40.45 -43.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.466 ' CG ' ' HE3' ' A' ' 67' ' ' LYS . 15.9 ttm180 -70.35 -55.0 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -37.83 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.485 ' HG2' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.39 -54.88 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 3.7 m0 -52.05 -24.46 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HE3' ' CG ' ' A' ' 63' ' ' ARG . 9.0 mmtt -66.87 -52.68 40.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CZ3' ' HG ' ' A' ' 20' ' ' LEU . 1.2 t90 -42.6 -52.77 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.48 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 4.8 mt -41.66 -54.79 3.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -72.34 -74.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.494 ' CE2' ' ND2' ' A' ' 146' ' ' ASN . 4.6 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.521 0.201 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.416 ' CB ' HD11 ' A' ' 137' ' ' LEU . 16.9 m -114.01 165.99 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -84.67 -47.66 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.21 -53.48 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.553 ' HG2' ' CD1' ' A' ' 137' ' ' LEU . 0.7 OUTLIER -51.38 -60.77 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -45.89 -23.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.558 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 4.6 ttp180 -86.66 -33.5 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 111' ' ' GLN . 49.7 m -68.11 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.518 ' CD1' HG21 ' A' ' 133' ' ' ILE . 7.0 tp -54.68 -44.26 73.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.639 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 75.0 t60 -56.94 -27.33 60.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.11 -20.23 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 120' ' ' LYS . 1.1 tp -75.81 -43.79 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 1.0 OUTLIER -37.71 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 118' ' ' ILE . 22.8 mmtt -59.3 -72.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 171.64 102.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.21 -53.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 126' ' ' SER . 0.0 OUTLIER -164.86 36.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.49 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 4.4 mtp180 -36.52 -52.18 1.85 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.632 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.4 Cg_endo -74.98 -95.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 125' ' ' PRO . 1.9 m 18.4 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -45.51 -28.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.2 OUTLIER -68.79 -36.82 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.529 ' CD1' ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -61.94 -57.83 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.529 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 3.3 tt0 -45.96 -31.87 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 22.5 mm -90.54 -26.46 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 27.8 m -57.99 -35.79 71.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -86.56 -54.32 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.496 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.8 OUTLIER -53.78 -31.41 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.519 ' CG ' ' O ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -83.83 -29.9 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -53.92 -42.7 69.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.553 ' CD1' ' HG2' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -92.9 -40.83 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 139' ' ' LEU . . . -152.98 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 138' ' ' GLY . 3.7 pp 178.53 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.84 147.59 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.0 pp -82.89 1.04 41.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -55.2 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.428 HG21 ' CD2' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -55.76 -48.13 75.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.569 HG12 ' CD1' ' A' ' 148' ' ' PHE . 17.3 t -46.66 -51.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -48.44 -44.6 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.494 ' ND2' ' CE2' ' A' ' 107' ' ' PHE . 9.9 t-20 -43.79 -49.53 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . 0.711 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.7 t80 -88.53 -67.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.569 ' CD1' HG12 ' A' ' 144' ' ' VAL . 2.0 m-85 -34.53 -37.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.1 OUTLIER -78.61 -55.27 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -47.51 84.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.711 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -75.4 -70.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.574 HG22 ' CZ3' ' A' ' 66' ' ' TRP . 3.5 mp -98.15 89.49 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.51 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -89.63 -168.83 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 3.0 m -101.34 -56.51 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -88.67 -31.73 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.82 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' CE1' ' A' ' 62' ' ' PHE . 1.2 p -72.36 -41.21 65.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -65.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.89 -30.19 57.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.568 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.62 -60.23 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' A' ' 20' ' ' LEU . 4.2 mt -38.05 -37.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m -67.84 -51.46 48.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' ARG . 23.8 m -82.8 0.76 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.43 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -90.78 -48.83 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.573 ' CD1' ' CE3' ' A' ' 68' ' ' TRP . 0.3 OUTLIER -64.24 -82.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -88.07 -73.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 176.89 -33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 3.9 m-85 -179.04 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.72 66.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 20' ' ' LEU . 1.1 tp -58.07 134.33 84.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.05 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 3.6 mp0 -39.38 -41.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' O ' ' HB1' ' A' ' 31' ' ' ALA . . . -54.46 -63.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.07 -56.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CE2' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -55.42 -15.61 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -91.24 -33.94 15.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -88.39 -3.78 58.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.644 ' NE ' ' CZ2' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -90.84 -77.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.8 -67.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.601 HD21 ' CE2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -58.89 166.93 1.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -93.42 -47.51 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.15 99.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -171.11 132.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 3.0 tm0? -109.78 69.46 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 100.65 32.62 5.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.548 ' CG2' ' CE ' ' A' ' 65' ' ' MET . 0.1 OUTLIER -40.01 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.546 HD22 ' CD1' ' A' ' 62' ' ' PHE . 30.9 mt -64.15 -54.76 28.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -62.3 -12.8 22.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 41' ' ' THR . 5.5 t70 -90.23 -46.84 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 2.3 tm? -71.69 -23.58 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -80.78 1.05 32.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' LEU . 4.1 tpp180 -36.43 -45.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.3 p-10 -78.4 151.96 78.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -153.52 102.47 2.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.59 15.59 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.2 m0 58.69 39.26 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -67.47 -14.01 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.971 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 30.72 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 37.59 86.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -28.81 69.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -61.99 -68.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.18 86.68 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -38.04 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.44 -34.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 m -58.66 -64.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.32 -51.17 11.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ARG . 5.0 ttm-85 -56.03 -58.8 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' ARG . 22.9 mmt180 -35.94 -38.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.548 ' CE ' ' CG2' ' A' ' 41' ' ' THR . 0.1 OUTLIER -72.67 -55.03 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.574 ' CZ3' HG22 ' A' ' 7' ' ' ILE . 5.3 m0 -51.78 -26.89 10.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -65.3 -53.24 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.644 ' CZ2' ' NE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -43.72 -56.87 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 3.5 mt -56.05 -45.04 79.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 71' ' ' GLU . 4.4 mm100 -61.05 -72.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER 59.24 151.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 74' ' ' PHE . 18.4 Cg_endo -74.98 49.61 2.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 72' ' ' PRO . 7.0 mt-10 34.76 35.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' PRO . 1.2 t80 177.65 68.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -168.19 49.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.88 26.55 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mtt -155.82 22.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -65.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 32' ' ' GLN . . . -79.07 131.64 36.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.28 125.6 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.496 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -108.5 151.22 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 81' ' ' ARG . 0.2 OUTLIER -179.06 -157.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -80.49 -177.66 6.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 83' ' ' ALA . . . 80.99 -176.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.6 t 55.88 71.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.23 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -173.12 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -57.42 -178.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.44 76.54 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.28 81.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -42.2 -62.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 70.3 -64.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 93' ' ' GLY . 25.1 m170 63.29 135.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.603 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' HIS . . . -56.28 -111.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 t0 174.74 160.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.48 159.66 14.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.21 -150.29 7.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.36 165.82 29.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 6.7 t -115.11 145.9 35.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 99' ' ' THR . 18.1 Cg_endo -75.01 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.74 -178.4 3.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.81 141.53 74.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 175.35 11.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -170.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.68 98.2 6.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 107' ' ' PHE . 12.4 t -132.4 -73.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.654 ' CD1' ' ND2' ' A' ' 146' ' ' ASN . 0.1 OUTLIER 38.46 94.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.465 ' CG2' HG12 ' A' ' 110' ' ' VAL . 52.8 m -109.22 137.7 46.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.26 -59.08 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.465 HG12 ' CG2' ' A' ' 108' ' ' THR . 11.7 p -44.89 -36.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 77.9 mt-30 -73.52 -57.96 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 6.4 ttp180 -51.01 -26.13 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -70.74 -46.12 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.525 ' CG2' HG12 ' A' ' 133' ' ' ILE . 32.8 m -61.08 -60.87 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 4.6 tp -55.94 -43.26 77.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.562 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 2.7 t-80 -47.3 -34.86 7.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.72 -35.63 70.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -56.34 -29.12 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD2' ' HB2' ' A' ' 151' ' ' ALA . 2.4 t80 -49.29 -27.5 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -126.61 55.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.482 ' CB ' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -130.02 -90.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 121' ' ' GLU . 6.6 t-20 175.91 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 129' ' ' LEU . 5.5 mttm -88.44 31.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.543 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 1.7 mtm105 -47.52 -49.19 56.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.03 -91.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 25.76 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -25.71 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' A' ' 132' ' ' THR . 29.9 tt0 -74.36 -38.73 63.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.1 OUTLIER -65.96 -56.43 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.472 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 3.6 pt20 -46.33 -34.6 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.1 mm -84.64 -27.59 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.6 m -62.87 -38.28 90.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.525 HG12 ' CG2' ' A' ' 114' ' ' THR . 0.1 OUTLIER -78.87 -50.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.477 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -56.62 -31.58 64.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.2 -14.49 33.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -61.63 -59.57 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.492 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.3 mp -116.47 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -142.96 -134.4 2.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.3 OUTLIER -171.92 -41.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.29 168.41 16.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 0.3 55.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.2 t -50.38 -55.21 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 146' ' ' ASN . 60.8 p -49.4 -53.82 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' A' ' 148' ' ' PHE . 74.9 t -41.16 -49.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.35 -42.99 92.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 107' ' ' PHE . 4.8 t-20 -41.16 -47.99 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.609 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -87.54 -66.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.609 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 10.2 m-85 -36.76 -30.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.4 tmm? -84.84 -52.3 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -63.21 -46.71 85.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.596 ' HB1' ' CE1' ' A' ' 147' ' ' PHE . . . -79.15 -78.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.508 HG23 ' CD2' ' A' ' 66' ' ' TRP . 1.6 mp -142.5 106.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.514 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 3.3 m120 -79.24 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 11.1 t -100.58 -54.34 2.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' THR . 11.6 tttt -92.01 -30.24 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 8' ' ' ASN . 9.9 p -78.35 -39.27 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 42' ' ' LEU . . . -56.18 -66.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -54.89 -29.13 55.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -67.78 -52.49 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 5.4 mt -41.68 -43.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -66.5 -52.47 45.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.4 m -73.95 -1.86 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 15' ' ' ARG . 2.6 mm-40 -91.06 -58.53 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD13 ' CE3' ' A' ' 68' ' ' TRP . 0.6 OUTLIER -53.34 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -90.81 -67.45 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 165.74 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.7 m-85 176.11 36.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.73 53.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CD1' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.14 138.9 91.38 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 80.45 2.43 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -46.14 -24.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -41.84 78.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -83.32 -50.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CE1' ' CD1' ' A' ' 68' ' ' TRP . 22.8 t80 -58.14 -12.93 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -90.92 -43.27 10.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -90.77 1.48 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 78' ' ' SER . 0.0 OUTLIER -82.81 -70.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.48 HG23 ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -123.43 -79.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' N ' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -93.58 147.83 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.36 -43.96 96.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HB3' ' CG2' ' A' ' 41' ' ' THR . 0.0 OUTLIER -59.55 147.58 36.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.496 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 m -160.84 -178.65 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 72.19 42.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 53.44 27.66 34.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -39.09 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.423 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.589 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 39.0 mt -49.28 -42.55 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -66.92 -24.4 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.0 t70 -80.3 -55.76 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' ' 55' ' ' LEU . 1.1 pp -65.01 -17.66 64.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.2 OUTLIER -72.71 -5.61 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -33.27 -38.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' LEU . 44.6 t30 -69.89 122.44 86.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.31 2.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.439 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.67 122.28 1.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 127.77 10.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.0 m0 57.19 39.42 28.84 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -49.53 -54.59 17.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 74.58 30.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 62' ' ' PHE . 2.4 mm? 39.69 64.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -41.25 -46.02 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 m -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -149.11 74.93 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' GLY . 4.4 tmm_? -38.88 -31.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -47.77 -35.55 10.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 m -58.74 -63.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CD1' HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -45.6 -47.9 14.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -60.5 -56.68 18.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' CB ' HD21 ' A' ' 35' ' ' LEU . 1.1 mtp85 -38.64 -39.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' ' CD1' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -72.78 -49.35 31.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 8.8 m0 -58.25 -27.49 64.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -63.57 -51.98 62.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.569 ' CE3' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -45.51 -60.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.034 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' TRP . 2.9 mt -39.36 -45.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -82.3 -86.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER 60.32 143.89 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -75.0 53.42 3.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER 175.52 128.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -41.18 -66.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' NE2' ' CH2' ' A' ' 68' ' ' TRP . 3.0 tp60 -177.72 36.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -138.29 51.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -40.29 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 33' ' ' ARG . 20.2 m -145.48 -69.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HB2' ' CZ2' ' A' ' 68' ' ' TRP . . . -39.01 144.19 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tt -160.02 127.75 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.93 150.0 46.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 125' ' ' PRO . 2.1 tt -176.36 142.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.77 102.1 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -159.81 -168.42 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.9 m 65.99 -77.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER 65.11 100.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.28 137.47 41.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -74.56 -61.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -73.54 149.82 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.1 -69.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 55.53 99.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.8 179.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.03 -169.17 1.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 95' ' ' ASP . 5.2 ttpt -40.96 144.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.416 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 11.3 t70 -160.13 168.99 24.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -156.3 171.31 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 168.08 158.58 12.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.045 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 175.42 166.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.323 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 2.5 m -161.37 146.56 10.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 99' ' ' THR . 18.4 Cg_endo -75.02 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.11 164.21 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.93 133.99 19.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -177.46 3.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.53 -169.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.4 tp -147.87 117.91 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.607 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -173.37 -90.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.607 ' CD2' ' O ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER 52.43 123.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.417 ' CG2' HG13 ' A' ' 110' ' ' VAL . 1.2 m -110.26 149.39 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -26.13 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.448 HG11 ' N ' ' A' ' 111' ' ' GLN . 7.5 p -75.84 -42.55 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.476 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 51.9 mt-30 -71.82 -56.35 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -51.37 -29.94 17.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 112' ' ' ARG . 8.3 ttt-85 -66.2 -42.34 88.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.48 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 25.4 m -65.25 -58.86 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.53 ' CD1' HG22 ' A' ' 133' ' ' ILE . 6.1 tp -58.22 -43.86 87.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.589 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 43.0 t60 -45.54 -39.94 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.593 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.73 -35.88 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -56.79 -25.98 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.545 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 5.8 t80 -50.75 -19.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.41 62.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.485 ' CB ' HD12 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -134.76 -75.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 163.08 -28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.423 ' HB3' ' CD1' ' A' ' 129' ' ' LEU . 8.0 mttp -92.25 28.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 12.0 mtm180 -46.14 -49.28 41.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.02 -91.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.541 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.9 m 27.98 80.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -39.69 -37.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.92 -58.02 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.3 OUTLIER -41.13 -56.32 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.661 ' CG ' ' CZ ' ' A' ' 148' ' ' PHE . 10.4 mt-30 -43.39 -44.41 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.08 -26.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 129' ' ' LEU . 22.5 m -61.46 -49.71 75.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.53 HG22 ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -65.42 -52.17 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.478 ' N ' HG21 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -52.97 -59.02 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -12.44 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 1.4 tt0 -64.72 -60.55 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.6 OUTLIER -112.93 12.77 19.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -156.18 -138.2 2.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -176.65 35.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 134' ' ' SER . 0.1 OUTLIER -160.05 152.19 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.89 -3.49 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.478 ' CB ' HG13 ' A' ' 106' ' ' VAL . 83.4 p -39.46 -50.95 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 112' ' ' ARG . 4.3 t -70.3 -51.09 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 148' ' ' PHE . 28.9 t -39.54 -49.09 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.74 -44.54 96.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' THR . 4.8 t30 -43.99 -45.92 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.595 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -84.99 -71.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.661 ' CZ ' ' CG ' ' A' ' 130' ' ' GLN . 9.6 m-85 -36.76 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -88.68 -44.28 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 147' ' ' PHE . 26.1 t30 -69.64 -49.43 53.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.586 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -75.57 -60.75 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.451 ' C ' ' OD1' ' A' ' 8' ' ' ASN . 3.0 tp -91.82 21.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.547 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.2 OUTLIER 59.96 106.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -65.15 -59.77 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -41.26 74.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -76.87 -21.22 55.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.587 HG11 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -67.79 -66.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.439 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -45.87 -49.61 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.82 -29.06 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.602 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.76 -59.32 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 65' ' ' MET . 3.1 mt -57.03 -17.08 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 85.4 m -82.94 -49.65 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 m -90.23 -4.72 57.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' ARG . 6.4 mm-40 -91.36 -47.15 7.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.591 HD11 ' CE3' ' A' ' 68' ' ' TRP . 3.4 mp -63.23 -89.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 16.0 tttp -89.82 -57.39 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 163.45 -27.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.448 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.2 OUTLIER 174.3 36.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 162.87 75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -70.52 140.7 87.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.493 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.98 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.548 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 6.9 mp0 -43.03 -26.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -60.84 -44.24 97.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -75.19 -50.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -63.62 -9.81 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -90.68 -34.43 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -92.61 -14.88 27.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' NE ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.12 -84.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 35' ' ' LEU . 4.5 m -123.29 -52.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 22.9 mt -71.79 172.42 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 17.3 p -100.94 -35.8 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.72 89.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.2 m -162.79 142.18 9.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.411 ' CB ' HG23 ' A' ' 25' ' ' ILE . 2.0 pt20 -130.01 76.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.85 23.03 70.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -42.35 -39.8 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.584 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 2.6 tp -36.36 -40.25 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -70.5 -52.7 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' THR . 1.1 t70 -50.49 -55.93 13.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' A' ' 55' ' ' LEU . 4.4 pp -62.76 -22.71 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.581 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 20.7 mt -87.64 1.5 53.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -35.52 -41.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' LEU . 2.0 p-10 -75.29 142.65 75.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.7 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.35 104.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.31 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.8 m0 61.92 51.32 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' LYS . 22.6 t -89.46 -41.83 11.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 38.24 39.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 45' ' ' LEU . 17.6 mt 39.77 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.43 -30.83 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.2 m -60.46 -52.61 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -140.6 81.02 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -24.12 48.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.78 -37.73 68.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 m -58.67 -64.38 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CE2' HG11 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -44.19 -36.81 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 66' ' ' TRP . 6.4 mtp180 -64.42 -52.1 59.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 35' ' ' LEU . 77.5 mtt-85 -42.08 -39.03 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.478 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 5.0 mmt -65.0 -61.0 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 63' ' ' ARG . 1.9 m0 -42.85 -42.05 3.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' GLU . 3.1 mttt -47.11 -60.55 2.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.591 ' CE3' HD11 ' A' ' 20' ' ' LEU . 2.2 t90 -44.41 -57.49 3.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.581 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 5.0 mt -44.2 -44.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -77.44 -76.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' OE2' ' NE ' ' A' ' 33' ' ' ARG . 81.8 tt0 71.98 132.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -75.0 52.23 3.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 72' ' ' PRO . 7.7 mp0 59.95 130.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.401 ' CB ' ' OE2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER 179.3 -57.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 16.3 pt20 -135.78 -48.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' N ' ' CG ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER 35.7 49.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.458 ' HB3' ' CB ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -150.02 38.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . 89.2 p 54.12 81.25 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.94 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' SER . . . 39.46 80.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 77' ' ' MET . 0.6 OUTLIER -115.73 56.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -138.83 140.57 38.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 3.2 mm? -47.09 165.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . 81.92 151.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.98 179.15 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.04 173.8 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.336 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 103.77 8.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -77.94 155.96 30.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -174.57 137.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.23 130.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.8 121.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -138.98 77.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -175.26 80.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.6 -167.11 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt 63.43 135.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.02 132.09 34.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.42 -61.01 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.74 -172.04 22.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -137.41 153.84 50.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 3.7 m -114.42 145.8 34.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 99' ' ' THR . 18.3 Cg_endo -75.02 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -146.76 162.89 37.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' LYS . 18.6 tttm -39.56 99.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -74.98 72.13 4.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.45 174.7 5.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.34 104.81 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 142' ' ' SER . 9.9 m -97.39 -42.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 106' ' ' VAL . 0.3 OUTLIER 36.08 89.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.496 ' CG2' ' OE1' ' A' ' 111' ' ' GLN . 39.3 m -111.48 141.35 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 -27.93 34.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.5 t -69.41 -42.72 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.496 ' OE1' ' CG2' ' A' ' 108' ' ' THR . 0.8 OUTLIER -73.0 -58.12 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -46.25 -26.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -75.05 -43.37 53.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.486 ' CG2' HG12 ' A' ' 133' ' ' ILE . 63.2 m -64.13 -59.46 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.428 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 5.0 tp -56.49 -45.53 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.543 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 9.8 t-80 -45.32 -39.0 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.14 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.517 HD12 ' CB ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -60.87 -18.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.561 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 8.1 t80 -53.14 -19.06 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.78 68.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.517 ' CB ' HD12 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -135.38 -79.87 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 176.59 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.47 ' CB ' HD11 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -89.45 23.21 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.513 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 1.9 mtm180 -35.42 -55.48 1.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.93 -91.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 30.59 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.51 ' O ' ' CD1' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -50.58 -29.3 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.403 ' O ' ' OG1' ' A' ' 132' ' ' THR . 3.6 mm-40 -73.96 -27.27 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.485 ' CD1' HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -75.11 -50.12 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.533 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 2.2 pt20 -52.91 -32.69 46.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 7.0 mt -85.4 -22.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 129' ' ' LEU . 6.9 m -68.56 -47.0 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.529 HG21 ' CD1' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.33 -47.41 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.516 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -62.85 -36.16 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.441 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 1.0 OUTLIER -82.49 -10.83 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -73.72 -50.56 20.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.402 ' O ' ' CD ' ' A' ' 111' ' ' GLN . 0.7 OUTLIER -127.02 31.02 5.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -165.12 -120.52 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.8 OUTLIER 168.46 -37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' A' ' 134' ' ' SER . 23.2 mm-40 -81.04 172.27 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -94.81 0.47 54.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -53.25 -60.04 3.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 146' ' ' ASN . 56.0 p -44.83 -54.08 6.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.564 HG13 ' CE1' ' A' ' 148' ' ' PHE . 77.8 t -40.87 -48.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.9 -43.02 95.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 34.1 t-20 -40.13 -46.24 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.62 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.08 -66.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.62 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 9.9 m-85 -36.71 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.0 tmm? -85.16 -52.54 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.47 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.585 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -80.14 -65.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.46 ' O ' ' CD1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 1.4 mp -156.5 -62.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER 81.65 169.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 52' ' ' TRP . 4.7 t -102.01 -37.59 8.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -42.55 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -26.87 68.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG22 ' NE1' ' A' ' 66' ' ' TRP . 10.1 p -65.18 -59.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB1' ' CA ' ' A' ' 43' ' ' SER . . . -43.12 -49.28 6.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -53.93 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -46.27 -43.62 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 65' ' ' MET . 7.2 mt -54.51 -44.26 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 85.7 m -73.01 -54.59 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 85.0 m -61.3 -20.73 63.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.539 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 21.6 tt0 -89.17 -50.54 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.583 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 4.1 mp -56.12 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -62.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 167.87 -27.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.28 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 175.27 36.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER 163.99 76.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -66.29 140.21 96.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.04 92.57 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.89 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -51.42 -51.74 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.5 mp -75.34 -51.39 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.615 ' CD2' HG12 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -51.14 -18.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -91.12 -35.86 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -84.54 -5.85 59.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -91.44 -77.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.31 -61.37 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.607 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 27.0 mt -58.66 172.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -100.2 -43.0 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -170.26 94.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 p -170.96 136.19 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.47 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 14.9 pm0 -115.59 59.34 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.6 35.43 4.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.51 -27.46 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.656 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -56.4 -53.75 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.503 ' CA ' ' HB1' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -66.14 -43.47 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 21.2 t70 -53.82 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' CD2' HD21 ' A' ' 55' ' ' LEU . 4.1 pp -61.39 -26.16 67.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.491 ' CG ' ' O ' ' A' ' 42' ' ' LEU . 28.4 mt -84.63 2.39 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 11.9 ptt180 -37.55 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.7 p-10 -89.13 145.75 34.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 119.73 5.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -155.73 105.62 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.57 13.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.413 ' N ' HG23 ' A' ' 9' ' ' THR . 9.9 m0 51.11 64.05 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -89.71 -44.54 9.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.39 43.22 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.578 HD22 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 43.77 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.21 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -60.19 3.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.68 99.77 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.69 -31.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.88 -41.41 11.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.5 m -58.3 -60.0 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.656 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -42.21 -30.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 110.95 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -46.38 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -48.87 -33.1 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.493 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.11 -58.12 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 3.2 m0 -51.06 -27.77 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.8 mmmt -60.28 -58.96 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 1.4 t90 -47.95 -51.32 24.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.583 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 1.7 mt -51.37 -48.27 62.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -49.84 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -40.83 161.58 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HD2' ' CG ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.09 81.54 2.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.559 ' O ' ' CG ' ' A' ' 74' ' ' PHE . 6.2 tm-20 -65.04 78.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 9.4 m-85 -176.03 -35.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 74' ' ' PHE . 8.3 pt20 -34.27 -51.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 78' ' ' SER . 4.3 mtt85 -153.03 31.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.33 -59.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 76' ' ' ARG . 69.8 p -137.18 79.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB1' ' NH1' ' A' ' 33' ' ' ARG . . . 54.91 176.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.86 92.83 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 175.77 160.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -151.53 170.54 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . 168.91 -64.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 173.24 -61.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.1 m 64.59 87.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 108.275 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.88 157.27 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 70.47 111.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.31 147.19 46.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.05 158.53 35.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -113.02 85.28 2.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.59 62.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 64.27 139.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.567 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.444 ' N ' ' OD2' ' A' ' 44' ' ' ASP . . . -62.82 -96.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 117.25 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.24 149.7 10.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.54 105.54 15.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.66 158.58 29.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -143.32 169.87 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 t -135.0 147.04 61.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.366 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -171.14 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -145.86 165.56 28.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.68 110.72 6.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 107.58 2.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -94.14 -178.71 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.95 101.41 7.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.48 HG11 ' CG2' ' A' ' 143' ' ' THR . 95.7 t -122.91 -85.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 106' ' ' VAL . 24.0 m-85 50.31 103.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 111' ' ' GLN . 2.5 m -114.88 157.04 23.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -79.08 -52.3 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.75 -43.61 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.479 ' HG2' ' CD1' ' A' ' 133' ' ' ILE . 11.3 tm0? -59.34 -61.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -58.77 -24.08 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -71.8 -34.23 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.557 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 51.9 m -73.77 -58.9 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.601 ' HB3' ' CD2' ' A' ' 147' ' ' PHE . 2.2 tp -56.81 -39.46 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.598 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 65.1 t60 -58.74 -33.57 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.39 -20.59 36.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 122' ' ' ASN . 1.8 mm -67.27 -51.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.583 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 4.8 t80 -36.88 -34.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 21.5 mmtt -55.58 -65.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.2 OUTLIER 165.6 106.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -162.76 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.41 22.42 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.2 OUTLIER -47.87 -48.94 60.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.05 66.23 6.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.4 m -167.64 106.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -36.68 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.81 -42.45 94.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -53.82 -52.25 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.548 ' CG ' ' CG1' ' A' ' 144' ' ' VAL . 0.5 OUTLIER -46.12 -42.94 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.8 mt -80.03 -24.0 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' LEU . 63.1 m -66.77 -46.08 76.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.557 ' CG1' ' HB ' ' A' ' 114' ' ' THR . 0.0 OUTLIER -67.36 -36.39 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.469 ' N ' HG21 ' A' ' 133' ' ' ILE . 7.9 p -69.74 -39.77 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 135' ' ' GLN . 4.6 tm0? -82.38 -11.52 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.46 ' OE1' ' CD2' ' A' ' 137' ' ' LEU . 10.5 tt0 -83.23 -28.98 28.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.46 ' CD2' ' OE1' ' A' ' 136' ' ' GLN . 2.2 mm? -127.59 7.1 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -170.29 -119.36 0.5 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.6 OUTLIER -179.85 -40.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.34 152.54 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 0.17 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.405 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.5 OUTLIER -52.33 -52.1 55.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.48 ' CG2' HG11 ' A' ' 106' ' ' VAL . 44.3 p -57.3 -51.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 148' ' ' PHE . 65.4 t -40.08 -48.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 146' ' ' ASN . 0.3 OUTLIER -57.87 -46.63 84.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 143' ' ' THR . 21.0 t-20 -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.642 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -89.12 -72.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.599 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 7.5 m-85 -30.46 -40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -78.03 -51.86 9.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' PHE . 31.6 t30 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.642 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -64.43 -65.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 148' ' ' PHE . 17.0 ttt-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 66' ' ' TRP . 3.0 mp 55.13 101.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -169.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 10.1 t -100.29 -55.02 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -96.93 -24.71 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -76.38 -25.27 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 7.2 p -78.0 -54.6 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -44.36 -54.11 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -48.8 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -50.89 -42.09 58.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.426 ' CD1' ' HB3' ' A' ' 65' ' ' MET . 4.4 mt -53.64 -44.02 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 m -74.52 -54.08 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.32 -22.27 60.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 5.3 mm-40 -90.52 -45.47 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.675 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 3.6 mp -53.29 -88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -86.74 -57.77 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 5.6 ptm180 163.71 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 172.51 37.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.7 m 162.79 75.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.602 HG12 ' CD2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -68.97 140.66 91.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.559 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.01 97.02 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -37.91 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -55.35 -51.41 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.461 HG13 ' CA ' ' A' ' 79' ' ' ALA . 2.1 mp -71.63 -42.49 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.699 ' CE1' ' CD2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.22 -6.67 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -90.73 -45.44 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 78' ' ' SER . 11.0 tp60 -90.77 0.05 57.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' NH1' ' CZ2' ' A' ' 68' ' ' TRP . 18.7 mmm-85 -90.43 -76.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.498 ' CG1' ' H ' ' A' ' 35' ' ' LEU . 2.1 p -125.4 -73.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.699 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -59.63 162.37 5.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 85.5 m -70.05 -52.43 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -170.61 99.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.431 ' CB ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER -170.74 149.61 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.27 72.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.431 HG23 ' CB ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -45.22 -37.07 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.407 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.616 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -42.07 -54.07 3.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.429 ' N ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -60.57 -40.87 93.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.12 -59.08 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD11 ' CD2' ' A' ' 55' ' ' LEU . 4.3 pp -61.6 -24.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.504 HD13 ' CE1' ' A' ' 62' ' ' PHE . 1.9 mt -81.38 0.66 36.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' LEU . 13.3 ttm180 -36.58 -44.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.03 143.14 83.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -144.99 107.26 4.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.9 m0 47.57 49.41 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -46.34 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 66.96 37.01 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.579 ' HB2' ' CD1' ' A' ' 62' ' ' PHE . 1.2 mt 37.38 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -34.41 71.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 m -96.9 58.05 1.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.51 47.24 0.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -50.55 -30.61 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.31 -39.28 69.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 42' ' ' LEU . 3.3 m -56.18 -62.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.616 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -39.63 -44.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 9.4 ttm180 -68.89 -50.59 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.34 -55.87 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.426 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -50.69 -50.89 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 17.7 m0 -48.89 -37.96 21.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -51.09 -52.42 43.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CZ2' ' NH1' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -45.71 -50.88 13.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 107.975 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.571 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 12.3 mt -68.58 -29.77 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.526 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -74.95 1.88 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.568 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -129.62 55.91 21.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.568 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -75.04 -34.01 4.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -59.18 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.409 ' C ' ' N ' ' A' ' 76' ' ' ARG . 4.4 m-85 -37.42 -51.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.78 27.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 74' ' ' PHE . 3.7 mtt180 -174.64 53.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.79 -19.16 59.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -169.23 -63.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.461 ' CA ' HG13 ' A' ' 29' ' ' ILE . . . 39.53 79.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 88.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.65 132.19 40.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mp -141.23 153.78 45.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.76 108.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -174.04 162.26 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 128.03 14.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 108.301 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.89 156.3 39.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -104.38 122.86 46.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -108.47 128.64 54.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.11 83.6 2.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.35 169.12 11.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -111.74 -64.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -174.58 153.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.591 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.58 -175.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.08 124.49 22.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -121.99 -66.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.67 -63.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.64 -166.75 12.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -174.39 168.81 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.2 t -171.62 107.89 0.38 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.21 6.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.83 178.07 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.38 96.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.94 41.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.01 168.96 2.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.57 103.57 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 142' ' ' SER . 2.7 t -123.22 -72.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.406 ' N ' HG11 ' A' ' 106' ' ' VAL . 67.4 m-85 36.79 92.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -106.38 156.47 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.0 p-10 -78.11 -51.75 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.455 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 38.2 t -55.17 -50.14 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.482 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 44.8 mt-30 -59.47 -61.55 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.4 ttt180 -52.95 -25.57 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -72.27 -33.25 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.488 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 36.5 m -71.83 -60.04 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.465 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 4.0 tp -57.74 -43.42 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.621 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 4.8 t60 -50.86 -39.05 52.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.16 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 129' ' ' LEU . 0.7 OUTLIER -68.58 -35.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.573 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.1 t80 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -77.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 178.45 102.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -154.16 -70.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -145.96 23.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.532 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -31.4 -56.57 0.41 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.02 66.79 6.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 51.4 m -155.22 98.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -63.36 -26.3 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -72.27 -43.52 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.44 -53.03 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.505 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 2.4 pt20 -45.8 -40.29 9.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.456 ' N ' ' HG2' ' A' ' 130' ' ' GLN . 4.5 mt -80.23 -27.01 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 129' ' ' LEU . 86.6 m -67.96 -38.28 82.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.488 ' CG1' ' HB ' ' A' ' 114' ' ' THR . 0.0 OUTLIER -72.73 -42.26 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.48 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 0.0 OUTLIER -64.55 -48.62 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -74.27 -19.24 60.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.425 ' NE2' HG23 ' A' ' 132' ' ' THR . 5.5 mt-30 -61.12 -56.39 21.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -111.33 13.68 21.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -156.85 -139.64 2.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.59 35.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 134' ' ' SER . 8.9 tp10 -157.46 148.33 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.62 -0.27 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.452 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.4 OUTLIER -50.25 -51.21 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 134' ' ' SER . 3.1 t -64.24 -46.07 85.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 130' ' ' GLN . 69.6 t -42.38 -47.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -64.92 -38.29 90.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 143' ' ' THR . 20.2 t-20 -42.02 -45.53 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.621 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -89.65 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.489 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 5.5 m-85 -38.33 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 147' ' ' PHE . 11.2 tmm? -85.47 -54.27 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.598 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -83.36 -60.82 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . 0.401 ' CA ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.579 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 7.1 tp -98.08 24.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 22.5 m-80 66.07 138.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.46 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -100.91 -42.18 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.4 -33.95 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -72.04 -21.92 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG2' ' NE1' ' A' ' 66' ' ' TRP . 9.9 p -75.86 -49.59 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB1' ' N ' ' A' ' 43' ' ' SER . . . -53.12 -64.18 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -54.8 -25.7 29.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.575 ' O ' ' N ' ' A' ' 19' ' ' GLU . 3.4 mtp180 -71.91 -60.48 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.487 ' CD1' HD13 ' A' ' 42' ' ' LEU . 5.9 mt -38.72 -32.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 15' ' ' ARG . 18.5 m -72.68 -50.92 21.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' ARG . 18.4 m -84.09 0.41 48.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.575 ' N ' ' O ' ' A' ' 15' ' ' ARG . 3.4 mm-40 -91.72 -58.05 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD13 ' CZ3' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -57.21 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 9.7 tttp -85.02 -68.71 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 163.04 -29.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.5 m-85 178.41 35.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -174.56 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.28 125.23 74.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.05 87.9 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.468 ' OE1' ' CG ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -38.76 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -62.62 -53.11 59.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' PRO . 47.2 mt -58.18 -54.59 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' CD1' ' CD1' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -61.96 -12.87 20.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -89.61 -35.62 15.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -91.73 -6.14 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -90.07 -81.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.77 -63.02 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.52 HD13 ' CG ' ' A' ' 30' ' ' PHE . 25.4 mt -59.34 167.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.525 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 14.3 t -90.22 -49.7 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.19 100.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 p -170.3 126.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.468 ' CG ' ' OE1' ' A' ' 27' ' ' GLN . 12.1 pt20 -106.74 52.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 118.2 31.65 1.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.581 1.176 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.434 ' CG2' ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.1 -28.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.383 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 62' ' ' PHE . 8.6 mt -62.9 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' ARG . 3.2 m -53.69 -34.65 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 41' ' ' THR . 35.5 t0 -55.2 -60.14 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -20.75 63.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.508 ' CD2' ' HA ' ' A' ' 10' ' ' LYS . 5.3 mp -90.77 2.99 55.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.59 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' LEU . 16.5 p30 -75.18 129.18 83.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.39 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -146.86 128.77 7.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.405 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 1.4 m-90 80.33 59.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.5 t -45.6 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.53 36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm? -89.67 43.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -100.06 -52.41 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -49.53 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.71 46.31 1.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' THR . 0.3 OUTLIER -60.36 -14.33 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -35.89 -35.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 59' ' ' ARG . 8.4 t -77.4 -53.82 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 1.2 m-30 -53.07 -38.81 62.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.163 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -71.72 -56.41 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -47.18 -30.35 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.474 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mmt -73.57 -56.52 4.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.581 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 2.5 m0 -57.3 -23.82 51.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -52.59 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.569 ' CZ3' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -48.56 -57.24 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 69' ' ' LEU . 3.6 mt -47.79 -47.77 30.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.2 -72.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER 65.03 136.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.2 Cg_endo -74.99 46.02 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 72' ' ' PRO . 5.8 pt-20 32.88 38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' PRO . 2.7 t80 -176.59 111.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' HG3' ' NH2' ' A' ' 33' ' ' ARG . 1.1 tm0? -177.11 -74.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER 176.85 -34.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.401 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 2.3 tmm? 74.95 -58.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 80' ' ' LEU . 84.1 p -112.75 65.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.38 72.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' SER . 10.5 tp -43.17 139.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.01 97.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.07 138.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.38 98.08 5.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -144.89 166.57 24.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 t -136.64 -71.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 tttp 65.97 144.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -167.68 71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.84 65.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -163.57 -71.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.509 ' NE2' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -156.56 151.16 25.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.509 ' H ' ' NE2' ' A' ' 90' ' ' GLN . 0.0 OUTLIER -133.87 152.65 51.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.86 86.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.63 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 43.78 -166.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.26 163.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -137.93 171.15 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -167.76 118.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.08 159.51 18.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -151.56 173.36 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.9 m -156.47 86.68 2.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.93 5.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 156.82 37.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 145.66 13.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.46 172.0 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.67 97.54 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 107' ' ' PHE . 2.9 t -106.06 -82.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.462 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 7.1 m-85 45.11 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.415 ' CB ' ' OE1' ' A' ' 111' ' ' GLN . 8.1 m -110.4 165.88 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.4 p-10 -84.12 -51.99 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.447 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 73.2 t -56.75 -48.29 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.5 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 25.1 mt-30 -58.56 -62.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -54.33 -20.65 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -72.43 -41.86 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.474 ' CG2' HG13 ' A' ' 133' ' ' ILE . 12.0 m -65.3 -58.96 4.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.591 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 2.5 tp -56.22 -52.56 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 73.4 t60 -49.62 -26.04 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.52 -35.17 68.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 121' ' ' GLU . 5.1 tp -77.24 -20.61 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 151' ' ' ALA . 1.5 t80 -36.54 -40.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 57.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 7.9 tp10 -123.0 -85.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 42.2 t30 174.58 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -177.93 42.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 1.3 mtm105 -66.95 -43.19 46.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.95 -93.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.2 m 31.19 85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -30.06 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.406 ' O ' ' OG1' ' A' ' 132' ' ' THR . 0.2 OUTLIER -75.18 -23.4 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 132' ' ' THR . 1.2 tt -83.66 -57.39 3.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.478 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 10.8 pt20 -43.73 -35.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.9 mt -81.3 -34.26 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 4.4 m -57.34 -53.87 53.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.87 -56.89 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.463 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -51.52 -36.97 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 139' ' ' LEU . 40.7 tp60 -77.7 -23.43 49.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.494 ' HB3' ' CD2' ' A' ' 137' ' ' LEU . 2.5 tt0 -58.78 -50.17 74.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.5 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -123.87 26.76 7.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -175.44 -125.47 0.87 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.3 OUTLIER 175.16 -35.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.254 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.34 150.75 41.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.61 0.53 26.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -51.96 -49.58 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 0.6 OUTLIER -57.64 -50.42 73.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.582 HG13 ' CE1' ' A' ' 148' ' ' PHE . 54.8 t -41.75 -52.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.71 -39.36 70.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 143' ' ' THR . 10.9 t-20 -43.75 -48.79 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.06 -67.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.603 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 9.0 m-85 -34.71 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -83.64 -49.36 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 147' ' ' PHE . 63.5 m-20 -62.38 -47.44 84.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.58 ' HB2' ' CD1' ' A' ' 147' ' ' PHE . . . -78.45 -69.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.572 HG23 ' CZ2' ' A' ' 66' ' ' TRP . 2.3 tp -147.32 118.96 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.456 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 6.0 m-20 -58.14 106.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.609 ' HB ' ' CE2' ' A' ' 62' ' ' PHE . 30.9 p -54.73 -34.43 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.456 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 5.0 mm-40 -59.41 -57.54 12.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.576 ' CG2' ' CD1' ' A' ' 66' ' ' TRP . 3.8 p -40.58 -38.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB3' ' N ' ' A' ' 43' ' ' SER . . . -54.91 -67.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 0.6 OUTLIER -65.94 -19.8 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.7 -42.23 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.513 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 5.5 mt -59.75 -45.98 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.22 -19.46 60.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -90.99 -24.9 19.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -85.37 -53.42 5.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.561 HD11 ' CE3' ' A' ' 68' ' ' TRP . 0.2 OUTLIER -43.42 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -90.24 -60.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER 167.08 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 168.51 37.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.0 63.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.591 HG12 ' CD2' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -69.66 139.76 88.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.533 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.96 92.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 4.0 mp0 -40.58 -27.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.72 -49.58 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.1 mp -77.38 -41.24 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -70.74 -4.15 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -92.33 -48.29 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.04 -8.98 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.47 -72.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.98 -57.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -121.6 167.29 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.36 -37.88 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 41' ' ' THR . 2.2 mmp_? -59.52 145.58 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 11.6 m -164.94 -177.95 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.953 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER 66.91 47.2 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 45.73 35.34 5.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -41.1 -26.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 13.5 mt -63.23 -50.41 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -20.97 66.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.92 -44.9 37.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -78.8 -19.03 53.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 48' ' ' ASN . 6.0 mp -90.09 0.29 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.33 -59.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.6 p30 -60.33 159.25 23.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -152.67 89.92 3.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.19 13.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.7 m0 68.17 37.69 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 t -64.84 -43.19 93.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 70.9 25.28 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 38.99 78.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -46.9 -29.78 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.9 m -53.39 -39.85 64.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 99.84 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.41 -26.99 68.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -33.46 75.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.412 ' O ' ' SD ' ' A' ' 65' ' ' MET . 22.9 m -58.29 -66.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.609 ' CE2' ' HB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -40.8 -42.75 1.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 111.005 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.577 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 22.0 ttt180 -65.2 -46.84 79.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 6.3 mmt85 -50.47 -50.03 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' TRP . 1.9 mpt? -53.29 -60.15 3.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 63' ' ' ARG . 4.0 m0 -44.79 -27.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -65.71 -46.58 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -45.87 -51.19 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -75.24 -30.8 60.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' GLU . 32.4 tt0 -55.01 -39.69 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 70' ' ' GLN . 0.6 OUTLIER -33.7 139.5 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.99 4.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 173.93 133.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.17 -33.89 13.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.563 ' HG2' ' CH2' ' A' ' 68' ' ' TRP . 2.4 tp60 72.32 59.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -100.07 32.08 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.6 mmt -121.14 -49.88 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . 58.4 m -77.32 -84.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . . . -39.72 -61.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 93.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -153.63 158.42 41.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 pp -96.03 170.65 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 75.78 164.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 60.48 81.9 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 50.7 m -148.32 160.85 42.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.253 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 137.26 14.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -86.69 140.37 29.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.25 86.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.2 58.73 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.54 103.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.44 ' C ' ' CD2' ' A' ' 92' ' ' HIS . 2.1 mt-10 -179.29 124.16 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 91' ' ' GLU . 28.1 m-70 -151.16 123.05 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 56.98 161.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 mttp 68.18 173.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -108.19 -57.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.66 161.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -154.43 -175.18 25.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -177.76 160.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.4 m -147.15 91.19 5.17 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.82 26.21 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.77 133.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -162.25 90.81 1.36 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.6 42.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.42 168.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.62 97.99 6.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 142' ' ' SER . 66.5 t -93.62 -80.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 39.26 85.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.458 ' CB ' ' NE2' ' A' ' 111' ' ' GLN . 19.5 m -110.23 171.16 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -88.06 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.6 t -57.43 -51.14 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.506 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 7.0 mt-30 -58.82 -60.95 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -52.77 -20.8 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -85.9 -25.5 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.494 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 61.0 m -77.78 -59.67 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.575 HD23 ' CE2' ' A' ' 148' ' ' PHE . 7.2 tp -59.69 -40.36 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.56 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 57.4 t60 -51.87 -49.9 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.02 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.518 ' CG2' ' HA ' ' A' ' 124' ' ' ARG . 0.2 OUTLIER -68.28 -27.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.594 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -49.35 -23.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -73.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 168.86 107.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.5 -60.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.496 ' O ' ' CD2' ' A' ' 129' ' ' LEU . 2.1 mtmt -149.53 29.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.518 ' HA ' ' CG2' ' A' ' 118' ' ' ILE . 0.8 OUTLIER -34.1 -53.71 0.88 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.0 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.578 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.3 m 24.11 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.7 OUTLIER -38.36 -31.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -66.34 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.0 OUTLIER -41.76 -53.64 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.466 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 33.1 mt-30 -42.57 -49.91 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.2 mm -77.52 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 129' ' ' LEU . 8.5 m -66.0 -46.47 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.494 ' CG1' ' HB ' ' A' ' 114' ' ' THR . 0.0 OUTLIER -68.99 -41.6 81.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.27 -42.51 93.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.518 ' HA ' ' HA ' ' A' ' 139' ' ' LEU . 6.2 tm0? -79.05 -16.85 56.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -38.22 81.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 2.9 mm? -113.28 -33.39 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -132.48 -110.8 1.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.518 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -179.34 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.61 138.95 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.9 pp -72.71 -4.15 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.424 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.6 OUTLIER -42.3 -50.73 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 146' ' ' ASN . 14.3 t -69.04 -45.69 69.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.559 ' CG1' ' CD2' ' A' ' 115' ' ' LEU . 78.9 t -43.55 -35.9 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -39.89 56.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -40.56 -39.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -83.53 -68.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.634 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 11.5 m-85 -41.5 -26.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 147' ' ' PHE . 22.6 tpp -77.83 -54.51 6.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -68.47 -52.17 35.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.582 ' HB3' ' CD1' ' A' ' 147' ' ' PHE . . . -69.9 -82.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.535 HG23 ' CE2' ' A' ' 66' ' ' TRP . 1.7 mp 66.13 118.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 2.5 m120 -91.93 -170.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 1.6 m -100.61 -58.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -32.39 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.9 67.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 8' ' ' ASN . 2.6 p -73.98 -50.24 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -47.49 -58.38 4.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -26.84 64.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.78 -59.19 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.514 ' CD1' ' CD1' ' A' ' 42' ' ' LEU . 3.7 mt -38.66 -36.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.488 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 1.1 m -67.36 -51.02 57.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' ARG . 50.6 m -83.23 0.09 47.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -90.9 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.604 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mp -53.66 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -90.75 -70.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.565 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 168.71 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.8 m-85 177.7 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.5 m -161.9 64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 17' ' ' THR . 47.6 mm -57.58 119.08 29.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 18.3 Cg_endo -74.97 84.94 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -37.82 -32.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.43 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.417 HG23 ' CB ' ' A' ' 79' ' ' ALA . 2.1 mp -67.86 -50.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CD2' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -52.48 -27.6 16.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -91.83 -17.92 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -88.79 -7.8 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' NH1' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -91.03 -80.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -48.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.637 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -60.15 161.75 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 68.2 m -100.48 -36.1 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -171.78 96.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.472 ' HB2' ' CG2' ' A' ' 41' ' ' THR . 11.9 p -170.45 169.4 7.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -156.55 60.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.82 9.41 40.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 38' ' ' SER . 0.6 OUTLIER -40.33 -32.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.514 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 13.4 mt -37.38 -46.51 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' ARG . 32.3 t -75.65 -42.13 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 56.3 m-20 -53.35 -58.3 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 2.0 pp -62.08 -25.38 67.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 42.7 mt -90.74 1.71 56.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -41.1 -32.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -72.42 154.04 91.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 93.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.86 86.98 8.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 16.9 m0 55.77 60.64 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 108.017 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.2 t -89.91 -48.25 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 83.68 36.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD23 ' CE2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 40.22 73.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -45.97 -41.51 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.93 -53.7 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -173.24 105.39 0.21 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -25.97 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -45.56 -47.75 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 m -50.61 -58.1 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -50.13 -38.77 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -67.01 -38.28 85.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.11 -60.57 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.475 ' CB ' HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -55.27 -58.25 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 18.7 m0 -45.92 -55.53 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 18.6 mttt -40.76 -37.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.582 ' CE3' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -58.89 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.402 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -68.59 -6.95 28.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -78.13 -38.76 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -41.55 148.94 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 62.45 5.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.83 129.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.35 -51.73 68.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -179.59 68.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.29 46.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.7 ttt -134.46 -56.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.463 ' OG ' ' NH1' ' A' ' 33' ' ' ARG . 5.0 m -96.77 -61.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' CB ' HG23 ' A' ' 29' ' ' ILE . . . -39.97 133.63 1.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 tp -42.4 117.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 101.0 9.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.69 124.85 9.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.3 166.85 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 72.72 154.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.44 175.48 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -119.06 -171.74 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -143.44 114.37 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 178.81 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.31 -70.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 1.2 mt-30 -168.39 -178.03 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.1 mt-10 165.11 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -173.94 162.49 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.629 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.35 106.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' N ' ' OD2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 65.41 -169.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.39 166.6 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -178.29 143.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.6 176.26 38.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.7 142.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -162.96 110.37 1.04 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -170.23 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -179.13 102.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 146.56 32.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.4 9.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.51 170.79 18.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.63 100.67 7.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.507 ' CG1' ' OG ' ' A' ' 142' ' ' SER . 75.5 t -146.07 -88.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.463 ' N ' ' OG ' ' A' ' 142' ' ' SER . 96.5 m-85 41.55 95.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -107.3 161.06 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.2 OUTLIER -86.83 -46.9 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.71 -48.27 88.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.502 ' HG2' ' CB ' ' A' ' 143' ' ' THR . 1.2 tt0 -61.19 -61.52 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -56.46 -24.49 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 44.0 ttt180 -72.05 -32.72 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.536 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 54.4 m -68.77 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.505 ' CD1' HG21 ' A' ' 133' ' ' ILE . 7.6 tp -57.69 -36.27 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.641 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 42.0 t60 -52.42 -41.79 63.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.31 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.502 ' CG2' ' HA ' ' A' ' 124' ' ' ARG . 0.1 OUTLIER -65.23 -33.89 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.611 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.9 t80 -43.44 -25.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.38 -70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER 160.0 110.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.52 -69.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.519 ' O ' ' CD2' ' A' ' 129' ' ' LEU . 1.1 mttt -145.57 40.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.9 OUTLIER -39.27 -51.08 4.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.557 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.05 -91.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.557 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.0 m 25.29 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.481 ' O ' ' CD1' ' A' ' 131' ' ' ILE . 1.7 mmtt -45.33 -25.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 126' ' ' SER . 2.5 tp10 -74.01 -42.51 60.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 123' ' ' LYS . 0.2 OUTLIER -64.01 -62.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.433 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 1.1 pt20 -41.77 -35.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 58.7 mt -80.44 -39.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 129' ' ' LEU . 21.2 m -48.49 -57.49 6.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.536 ' CG1' ' HB ' ' A' ' 114' ' ' THR . 0.0 OUTLIER -57.96 -55.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -50.11 -24.73 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -90.96 -24.42 20.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.79 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.432 ' HB2' ' CD ' ' A' ' 111' ' ' GLN . 4.5 mm? -70.65 -12.45 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.414 ' C ' ' CD2' ' A' ' 139' ' ' LEU . . . 70.35 63.62 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.414 ' CD2' ' C ' ' A' ' 138' ' ' GLY . 3.9 mm? -133.69 -98.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.46 ' C ' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -178.66 -170.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 142' ' ' SER . 2.7 pp -47.54 -20.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.507 ' OG ' ' CG1' ' A' ' 106' ' ' VAL . 3.5 t -32.5 -53.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.502 ' CB ' ' HG2' ' A' ' 111' ' ' GLN . 5.9 t -64.49 -52.05 59.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.604 HG13 ' CE2' ' A' ' 148' ' ' PHE . 95.5 t -44.05 -60.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.3 OUTLIER -59.52 -47.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 112' ' ' ARG . 52.1 t-20 -45.26 -51.88 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.641 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.6 t80 -78.17 -72.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.604 ' CE2' HG13 ' A' ' 144' ' ' VAL . 7.8 m-30 -33.07 -37.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.513 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.5 ttm -82.56 -52.22 7.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -59.15 -47.08 86.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.588 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.23 -73.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.648 ' CG2' ' CZ2' ' A' ' 66' ' ' TRP . 4.3 tp -93.2 17.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 2.2 m-20 66.65 140.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -103.43 -45.69 4.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -96.16 -43.8 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -65.51 -24.02 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 4.9 p -75.4 -52.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -48.07 -56.48 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -62.01 -22.84 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -72.78 -47.9 42.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 2.9 mt -63.83 -16.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -91.03 -39.52 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.9 m -90.76 -12.14 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.431 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 15' ' ' ARG . 7.5 mm-40 -91.08 -57.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.709 ' CD1' ' CE3' ' A' ' 68' ' ' TRP . 2.7 mp -41.04 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.2 tttt -87.06 -54.57 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER 156.75 -23.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.3 OUTLIER 170.48 37.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 161.35 74.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -70.33 138.06 86.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.04 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.479 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 4.7 mp0 -40.08 -28.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.84 -47.8 83.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -67.07 -51.15 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.626 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -67.83 -4.94 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -90.17 -52.09 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -5.05 59.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' CG ' ' CD1' ' A' ' 68' ' ' TRP . 4.9 tpm_? -90.53 -77.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 t -120.24 -78.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.583 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 9.6 mt -60.09 176.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.0 m -96.75 -41.41 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.07 98.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 m -170.13 152.74 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.78 71.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 84.64 25.91 40.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.98 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 0.787 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.583 HD21 ' CD1' ' A' ' 62' ' ' PHE . 10.7 mt -48.91 -61.49 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -55.06 -44.2 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.499 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 57.5 m-20 -52.8 -56.7 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' CD1' HD12 ' A' ' 55' ' ' LEU . 4.0 pp -68.94 -20.8 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 9' ' ' THR . 0.4 OUTLIER -91.31 2.49 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -38.34 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.24 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.78 145.7 50.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 99.09 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -141.23 84.91 12.35 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.81 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.3 m0 67.14 43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -83.59 -56.06 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 82.23 33.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 62' ' ' PHE . 2.4 mm? 39.18 79.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -24.65 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -57.59 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.072 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 99.74 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -28.44 15.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 0.783 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -48.94 -44.62 40.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 m -52.79 -58.76 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -45.63 -39.82 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' ARG . 1.1 mtm180 -64.77 -58.02 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' CG ' HD22 ' A' ' 35' ' ' LEU . 1.4 ttm180 -35.34 -40.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.618 ' HE3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.68 -51.11 17.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.648 ' CZ2' ' CG2' ' A' ' 7' ' ' ILE . 13.3 m0 -54.17 -27.13 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.2 mtpt -63.13 -62.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.709 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.9 t90 -42.34 -48.27 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.534 HD12 ' CD1' ' A' ' 20' ' ' LEU . 2.3 tp -62.65 -60.29 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.476 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -44.17 -52.04 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 70' ' ' GLN . 34.7 mm-40 -32.92 139.28 0.23 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.3 Cg_endo -74.98 52.11 2.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 72' ' ' PRO . 1.9 mp0 31.21 71.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 75' ' ' GLN . 1.9 t80 -96.52 -41.12 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' PHE . 2.2 tm0? -38.22 -76.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.1 OUTLIER -154.1 36.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 2.5 ttp 81.78 -49.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 p -168.34 71.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 48.23 -167.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.32 129.83 15.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -46.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 82' ' ' LEU . 3.6 mp 64.33 -178.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 84' ' ' ALA . . . -93.57 130.19 39.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 127' ' ' LYS . . . 169.46 88.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 128.02 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 108.315 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -164.46 84.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.95 159.93 15.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.96 -63.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -131.85 111.26 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -81.54 -61.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 57.23 90.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 166.56 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.606 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.5 149.69 0.25 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 1.7 tmmt? -40.59 134.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.53 -172.61 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.49 -177.43 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.82 -165.0 30.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -137.34 -175.78 4.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 t -92.34 112.11 53.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -173.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -78.87 -172.07 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -71.04 168.29 22.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.18 5.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 178.83 160.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -135.45 -161.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.44 ' N ' HD23 ' A' ' 105' ' ' LEU . 3.4 t -147.6 -67.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.585 ' CZ ' ' OD1' ' A' ' 146' ' ' ASN . 2.9 t80 45.97 95.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 151.99 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.13 -27.53 21.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.73 -46.27 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.424 ' O ' HD12 ' A' ' 133' ' ' ILE . 6.0 mp0 -69.59 -59.29 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -49.65 -22.61 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.429 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 9.6 mtt180 -77.31 -43.88 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.453 HG22 ' CG1' ' A' ' 133' ' ' ILE . 63.1 m -63.67 -60.42 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.545 ' CD1' HG22 ' A' ' 133' ' ' ILE . 6.9 tp -55.37 -41.84 73.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.65 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 35.5 t60 -50.87 -34.09 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.14 -25.1 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -69.48 -24.9 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 151' ' ' ALA . 2.7 t80 -49.1 -19.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 69.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.459 ' CB ' HD11 ' A' ' 118' ' ' ILE . 1.6 tt0 -134.89 -76.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -178.23 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 124' ' ' ARG . 0.6 OUTLIER -90.08 22.66 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.557 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 2.7 mtm180 -29.74 -57.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.01 -92.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 125' ' ' PRO . 35.3 m 32.41 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -48.51 -44.29 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -49.94 75.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -46.13 -51.25 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.533 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.3 OUTLIER -46.64 -41.93 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.421 ' N ' ' HG2' ' A' ' 130' ' ' GLN . 3.1 mt -80.07 -23.33 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' LEU . 95.9 m -66.69 -47.12 73.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.545 HG22 ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -71.69 -45.2 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.535 ' N ' HG21 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -57.59 -37.32 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 139' ' ' LEU . 2.3 tt0 -86.95 -21.3 26.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 132' ' ' THR . 0.0 OUTLIER -54.84 -48.99 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.407 HD11 ' C ' ' A' ' 136' ' ' GLN . 0.7 OUTLIER -116.98 -12.1 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -132.13 -132.0 3.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.2 OUTLIER -168.62 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' A' ' 134' ' ' SER . 0.3 OUTLIER -69.31 174.67 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -99.98 1.18 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.5 t -55.34 -50.91 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.422 ' HB ' ' CB ' ' A' ' 111' ' ' GLN . 62.1 p -52.11 -40.01 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.695 ' CG1' ' CE2' ' A' ' 148' ' ' PHE . 45.0 t -61.78 -44.05 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.84 -45.95 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.585 ' OD1' ' CZ ' ' A' ' 107' ' ' PHE . 2.6 m-80 -43.02 -53.87 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.65 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.1 t80 -76.87 -70.61 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.695 ' CE2' ' CG1' ' A' ' 144' ' ' VAL . 7.1 m-30 -33.4 -34.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.518 ' O ' ' CG ' ' A' ' 152' ' ' ARG . 18.7 mmt -90.73 -46.0 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 146' ' ' ASN . 5.5 t-20 -61.91 -41.3 97.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.61 ' O ' ' CZ ' ' A' ' 119' ' ' PHE . . . -90.18 0.34 57.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 149' ' ' MET . 25.2 ptt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.528 HG21 ' CE2' ' A' ' 66' ' ' TRP . 4.1 mp 60.95 105.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.44 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -84.16 -168.19 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.49 HG21 ' CD2' ' A' ' 46' ' ' LEU . 1.2 m -101.84 -55.61 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -97.4 -26.56 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.66 -27.31 45.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 7.8 p -70.64 -52.28 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.463 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -50.87 -63.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -27.31 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 19' ' ' GLU . 7.9 ttt180 -67.51 -59.84 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.503 ' CG2' HD23 ' A' ' 20' ' ' LEU . 4.6 mt -35.95 -43.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -58.42 -51.63 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' ARG . 4.9 m -88.35 1.06 55.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.84 -52.35 4.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.584 HD12 ' CE3' ' A' ' 68' ' ' TRP . 4.6 mm? -55.73 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.5 tttt -84.02 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.574 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 160.91 -29.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.4 m-85 179.39 35.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.83 63.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -57.49 125.38 71.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' GLN . 18.3 Cg_endo -74.97 80.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.49 -36.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -59.01 -60.17 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.471 HG22 ' CA ' ' A' ' 79' ' ' ALA . 5.1 mt -59.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE2' ' CD2' ' A' ' 35' ' ' LEU . 21.4 t80 -69.84 -4.44 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -93.27 -41.79 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -15.67 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.519 ' HD3' ' CE2' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -66.69 -79.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG12 ' CD2' ' A' ' 35' ' ' LEU . 2.5 p -125.6 -66.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -68.03 149.15 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 2.1 p -55.37 -56.84 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.12 110.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 2.8 m -170.9 134.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.43 60.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 30.98 3.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -52.78 -35.82 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.478 HD12 ' CD1' ' A' ' 16' ' ' ILE . 28.3 mt -47.57 -57.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.442 ' N ' ' HB2' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -54.82 -38.13 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.97 -60.26 4.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD11 ' CD2' ' A' ' 55' ' ' LEU . 3.5 pp -62.4 -19.26 63.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.49 ' CD2' HG21 ' A' ' 9' ' ' THR . 0.5 OUTLIER -89.8 4.07 50.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -33.45 -47.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.3 p-10 -72.4 146.18 88.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.2 OUTLIER -137.87 102.07 8.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 121.01 6.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m0 45.13 61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 46.5 t -91.29 -54.53 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 87.27 38.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER 37.74 76.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -59.03 -31.65 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 4.5 m -54.0 -45.67 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.91 108.87 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -68.49 -25.75 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.52 -36.99 82.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.464 HG22 ' CD2' ' A' ' 42' ' ' LEU . 2.7 m -58.65 -64.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 0.7 OUTLIER -42.91 -47.32 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.544 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -61.96 -48.5 80.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.481 ' CG ' HD11 ' A' ' 35' ' ' LEU . 1.2 ttt180 -37.72 -48.11 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -53.48 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 11.8 m0 -49.58 -36.95 25.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 108.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 14.7 mttt -51.11 -55.48 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.584 ' CE3' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -43.79 -59.29 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 108.016 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -55.72 -33.61 64.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.507 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -77.18 1.51 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.581 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -131.09 55.16 17.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.581 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -75.01 -40.15 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.469 1.773 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.57 -80.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' PRO . 6.9 t80 -164.53 27.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 74' ' ' PHE . 5.2 mm-40 36.26 65.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -175.38 34.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.74 9.42 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.4 m -167.76 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.471 ' CA ' HG22 ' A' ' 29' ' ' ILE . . . -62.08 132.69 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.67 139.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.69 139.2 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -167.56 129.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . 80.63 148.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.51 100.04 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.19 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.99 66.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -151.24 -61.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp 68.43 71.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -127.52 133.07 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 91' ' ' GLU . 38.7 tt0 -166.42 153.39 9.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.418 ' N ' ' HG2' ' A' ' 90' ' ' GLN . 0.8 OUTLIER 175.65 86.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 62.43 171.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.597 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.8 -103.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.41 103.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.29 178.87 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -146.64 158.78 43.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -163.35 176.6 39.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.87 146.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 1.2 m -150.92 129.5 6.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 99' ' ' THR . 18.4 Cg_endo -74.94 155.46 43.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -95.91 176.38 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.91 91.14 0.53 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.29 42.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.43 175.71 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.57 101.94 7.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 107' ' ' PHE . 2.6 t -113.32 -72.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 146' ' ' ASN . 2.0 m-85 36.57 88.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.431 ' OG1' ' NE2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -98.97 163.72 12.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.95 -41.48 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.2 p -66.84 -40.37 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.486 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 35.0 mt-30 -66.86 -59.91 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -53.88 -18.9 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -82.68 -29.33 30.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.496 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 37.5 m -75.04 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.556 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 3.6 tp -59.37 -33.2 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.642 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 48.7 t60 -62.6 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.58 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.22 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 0.3 OUTLIER -71.26 -49.7 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.551 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -44.48 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -69.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 170.0 104.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -161.52 -76.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' CD1' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -149.62 42.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 15.1 mtm180 -58.11 -42.63 96.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.02 58.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.552 1.817 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 129' ' ' LEU . 2.8 m -150.99 90.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -36.19 6.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -37.15 86.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 144' ' ' VAL . 25.9 tt0 -45.61 -40.4 8.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.3 mt -81.74 -25.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 84.0 m -63.36 -50.32 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.501 HG21 ' CD2' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.18 -53.64 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 139' ' ' LEU . 0.9 OUTLIER -55.28 -37.66 67.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 19.2 tt0 -86.23 -2.35 58.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.5 -44.62 20.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.486 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.5 mp -128.23 21.85 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -167.64 -120.31 0.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' SER . 1.1 pp 169.72 -34.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.754 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 153.04 38.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -2.97 49.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -60.6 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -48.9 49.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 130' ' ' GLN . 2.0 t -44.97 -49.3 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -40.2 89.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.515 ' HA ' ' CE2' ' A' ' 107' ' ' PHE . 36.6 t-20 -41.54 -45.29 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.642 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 0.8 OUTLIER -88.88 -68.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.504 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 5.4 m-85 -35.01 -35.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -80.01 -52.4 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.35 -50.31 72.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.628 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -73.15 -70.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.54 HG21 ' CE2' ' A' ' 66' ' ' TRP . 2.2 mp 65.38 85.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.452 ' N ' HG23 ' A' ' 12' ' ' VAL . 1.6 t30 -61.41 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -100.62 -55.19 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.432 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.38 -42.58 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.4 mt-10 -58.11 -22.96 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' ARG . 1.4 t -80.95 -58.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.445 ' HB2' ' N ' ' A' ' 43' ' ' SER . . . -43.48 -38.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -79.17 -35.15 42.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -59.55 -40.95 88.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.497 ' CG2' HD13 ' A' ' 20' ' ' LEU . 3.7 mt -64.6 -63.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' TYR . 60.0 m -56.71 -16.99 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 17.3 m -92.02 -37.93 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ARG . 7.6 tp10 -81.46 -54.17 5.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.686 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 55.5 mt -39.79 -88.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -91.9 -60.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.605 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER 168.04 -28.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 173.21 36.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER 164.07 77.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.501 ' CD1' ' HD2' ' A' ' 26' ' ' PRO . 0.9 OUTLIER -66.75 138.61 95.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.05 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 6.4 mp0 -40.52 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.96 -48.95 78.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.477 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 24.1 mm -68.77 -48.68 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.686 ' CE1' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -71.11 -0.74 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -91.71 -47.82 7.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.19 1.33 56.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -90.31 -77.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.466 ' CG2' ' H ' ' A' ' 35' ' ' LEU . 30.0 m -122.72 -61.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.568 HD21 ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.87 168.9 19.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 84.1 m -85.01 -43.85 13.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 37' ' ' ARG . 2.9 ptm180 -172.12 101.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -170.49 139.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HG2' ' CG ' ' A' ' 27' ' ' GLN . 1.3 pt20 -123.09 73.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 92.52 38.03 5.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.466 ' CG2' ' HE2' ' A' ' 65' ' ' MET . 0.0 OUTLIER -46.91 -21.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.422 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.632 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 33.5 mt -64.73 -57.19 9.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB2' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -62.75 -13.39 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.72 -55.92 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 2.5 tm? -70.82 -21.57 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 9' ' ' THR . 7.9 mp -76.32 -1.92 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 92' ' ' HIS . 1.5 tmt_? -37.41 -35.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -91.46 146.96 34.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.78 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.09 106.25 4.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.47 13.32 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.3 m0 62.56 45.4 6.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 55' ' ' LEU . 1.2 t -79.33 -37.56 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.52 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER 47.0 65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -47.39 -44.55 24.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -50.62 -46.61 58.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.4 77.99 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -17.62 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -47.57 -35.81 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.459 ' CG2' HD22 ' A' ' 42' ' ' LEU . 29.9 m -59.0 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.416 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.632 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 5.3 m-85 -52.63 -59.48 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -41.84 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 9.9 mmt180 -64.96 -52.6 55.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.489 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -47.07 -48.75 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.624 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -59.19 -31.82 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 3.2 ttpp -51.65 -53.24 40.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.627 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -50.76 -57.97 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 107.982 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.567 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 2.2 mt -55.41 -35.73 65.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.502 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -77.24 2.39 15.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.579 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 1.2 mp0 -131.39 55.27 17.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.579 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -74.98 -30.39 7.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -106.32 91.02 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.74 -45.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.455 ' OE1' ' NE ' ' A' ' 33' ' ' ARG . 4.6 pm0 -118.56 -34.69 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 75' ' ' GLN . 2.8 ttt180 44.38 35.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 ttt -167.96 43.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -131.33 -87.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.38 130.12 2.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.71 164.89 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -94.43 150.7 20.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.46 170.9 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.18 108.73 20.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.47 135.93 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -174.05 104.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 108.264 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.45 130.48 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? 57.32 169.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -179.48 151.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 2.3 mt-10 -174.84 109.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -173.96 160.1 3.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.16 55.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 16.8 m80 57.17 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.579 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 95' ' ' ASP . . . 79.39 136.12 1.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.08 95.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' GLY . 0.4 OUTLIER -153.89 93.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -83.64 173.26 11.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.33 -172.5 13.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -168.32 -179.43 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 2.4 m -157.49 146.56 14.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 99' ' ' THR . 18.4 Cg_endo -74.95 119.39 5.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.72 -170.12 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -155.68 113.2 2.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.25 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.436 ' O ' ' CG ' ' A' ' 104' ' ' ARG . 18.2 Cg_endo -75.03 -175.12 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 106' ' ' VAL . 1.0 OUTLIER 43.35 -162.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tp 61.67 -82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.647 ' O ' ' C ' ' A' ' 107' ' ' PHE . 2.3 t -39.94 -59.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.647 ' C ' ' O ' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -10.26 88.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 106' ' ' VAL . 2.5 m -97.91 158.4 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 1.1 t70 -86.71 -38.76 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.74 -47.53 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.486 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 79.5 mt-30 -59.29 -60.45 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.518 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -50.34 -21.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -80.35 -30.66 38.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.474 ' CG2' HG12 ' A' ' 133' ' ' ILE . 77.5 m -76.84 -57.76 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.581 ' HG ' ' CE2' ' A' ' 147' ' ' PHE . 5.2 tp -58.04 -52.08 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 21.4 t-160 -49.32 -40.97 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.62 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 124' ' ' ARG . 0.2 OUTLIER -74.55 -24.25 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.582 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 12.3 t80 -51.3 -23.75 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 174.79 106.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -176.04 -67.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 129' ' ' LEU . 16.2 mmtt -135.39 36.55 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -43.73 -51.82 15.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.553 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.01 -92.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.6 m 25.33 76.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.96 -38.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 129' ' ' LEU . 12.7 pt-20 -61.62 -46.98 87.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.0 OUTLIER -51.98 -55.73 18.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.476 ' HG2' ' CG2' ' A' ' 144' ' ' VAL . 0.4 OUTLIER -42.19 -39.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.6 mt -84.83 -27.13 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.2 m -63.42 -46.21 87.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.502 HG23 ' CD2' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.65 -53.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.496 ' N ' HG22 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -55.47 -36.37 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -79.66 -28.97 40.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.45 ' CG ' HD12 ' A' ' 137' ' ' LEU . 14.8 tp60 -52.22 -49.73 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.486 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 4.1 mp -126.52 33.69 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.426 ' C ' ' CD2' ' A' ' 139' ' ' LEU . . . -178.28 -127.91 1.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.426 ' CD2' ' C ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER 178.5 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.419 ' O ' ' OG ' ' A' ' 134' ' ' SER . 28.7 mp0 -75.01 174.13 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.406 ' C ' ' CD2' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -97.03 0.64 49.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.454 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.3 OUTLIER -48.22 -59.37 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 146' ' ' ASN . 3.1 t -53.55 -53.27 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.566 HG11 ' CD1' ' A' ' 148' ' ' PHE . 71.2 t -43.62 -47.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -57.3 -39.95 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 107' ' ' PHE . 38.3 t-20 -45.36 -50.57 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.593 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -83.29 -68.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.577 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 6.2 m-85 -35.74 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 145' ' ' SER . 26.8 tpp -87.24 -44.4 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' PHE . 16.3 t30 -66.8 -49.36 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.593 ' HB1' ' CE1' ' A' ' 147' ' ' PHE . . . -76.91 -66.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.594 HG22 ' CZ2' ' A' ' 66' ' ' TRP . 1.5 mp -107.47 -41.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.522 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.5 OUTLIER 64.76 94.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.616 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -56.54 -44.84 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.408 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -66.56 -57.38 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.4 mt-10 -60.22 -21.73 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 8' ' ' ASN . 2.1 t -65.95 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 43' ' ' SER . . . -43.93 -55.61 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -63.63 -30.64 71.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 19' ' ' GLU . 5.6 mtt180 -64.84 -67.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.487 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 2.7 mp -41.5 -30.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.423 ' N ' ' C ' ' A' ' 15' ' ' ARG . 3.4 m -68.48 -48.39 64.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 15' ' ' ARG . 49.4 m -91.31 -3.48 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -91.84 -49.28 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.597 HD13 ' CE3' ' A' ' 68' ' ' TRP . 0.5 OUTLIER -65.39 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.8 ttpp -84.13 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 1.4 ptt85 163.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 174.14 36.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 167.11 76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 30' ' ' PHE . 1.5 tp -70.35 132.92 87.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.522 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . 5.2 mp0 -36.97 -56.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -38.9 -43.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.4 mp -71.98 -50.05 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.615 ' CD2' HG12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -64.78 -5.06 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -88.41 -47.37 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -3.99 58.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' NE ' ' OE1' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -91.09 -77.82 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.7 t -121.31 -80.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD23 ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -59.52 177.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.8 t -96.39 -42.03 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttm105 -171.76 90.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.41 122.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.487 ' CG ' HG21 ' A' ' 25' ' ' ILE . 3.2 tm0? -101.02 80.64 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 89.71 40.94 5.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -42.87 -26.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.6 HD23 ' CD1' ' A' ' 62' ' ' PHE . 14.2 mt -71.22 -65.1 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -47.26 -32.73 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' THR . 1.7 t0 -55.17 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -74.33 -17.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.511 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -91.49 3.49 54.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.31 -42.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.9 m-80 -78.55 127.8 79.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 93.05 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 153.69 23.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 123.0 7.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 58.56 58.53 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 t -40.94 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.4 25.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 3.1 mm? -106.83 33.86 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -28.83 13.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.0 m -59.85 -52.3 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.47 70.32 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -16.66 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -35.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 7.4 t -73.91 -54.58 7.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.616 ' CE2' ' CG2' ' A' ' 9' ' ' THR . 0.2 OUTLIER -50.78 -51.95 45.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.596 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.7 ttt180 -54.41 -60.56 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -37.24 -40.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.18 -60.83 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CE3' ' HA ' ' A' ' 63' ' ' ARG . 2.7 m0 -46.57 -26.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -63.32 -50.89 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.597 ' CE3' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -47.53 -50.61 23.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.567 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.84 -36.6 83.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.38 -41.78 94.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' GLN . 10.1 mm-40 -35.94 141.89 0.32 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' PHE . 18.6 Cg_endo -74.97 54.88 3.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 111.052 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER 38.02 30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' PRO . 10.2 t80 -46.67 -43.73 17.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.442 ' OE1' ' NE ' ' A' ' 33' ' ' ARG . 1.3 pm0 -110.51 60.82 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.38 59.45 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 75' ' ' GLN . 18.4 ptt? -179.17 -38.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' LEU . 20.7 m -44.94 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HB1' ' CH2' ' A' ' 68' ' ' TRP . . . -69.78 61.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 1.7 tp -176.48 60.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER 162.52 168.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 78.26 139.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.13 50.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.97 141.12 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.1 t 65.14 102.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -76.45 164.66 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.16 111.6 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.0 -60.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.94 71.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.18 140.78 32.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.77 -170.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.252 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -74.84 173.77 10.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.7 161.45 36.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.4 t0 73.77 159.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -143.42 174.67 10.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.91 -161.73 9.06 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -175.25 171.3 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.37 139.06 21.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -169.3 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.37 130.94 55.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -156.36 169.83 9.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -165.35 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 63.4 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 tp -163.33 127.54 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 142' ' ' SER . 0.4 OUTLIER -155.76 -87.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.545 ' CD2' ' ND2' ' A' ' 146' ' ' ASN . 0.3 OUTLIER 33.01 84.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.932 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.475 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 4.6 m -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -90.39 -47.25 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 111' ' ' GLN . 10.9 p -51.24 -51.05 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.493 ' CD ' ' N ' ' A' ' 112' ' ' ARG . 1.5 pp0? -53.07 -52.79 57.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.493 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 40.6 ttp180 -53.45 -18.45 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -42.84 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.49 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 8.8 m -77.86 -48.08 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.533 ' HB3' ' CB ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -47.7 -51.3 22.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.687 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 3.1 t-160 -59.98 -40.27 88.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.74 -18.71 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.433 HG12 ' CD2' ' A' ' 129' ' ' LEU . 0.7 OUTLIER -83.63 -36.94 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.5 OUTLIER -50.29 -28.19 7.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -78.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 175.52 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -152.81 -69.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.501 ' HB3' ' CB ' ' A' ' 129' ' ' LEU . 21.1 mtmt -140.95 37.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.529 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.2 OUTLIER -40.29 -49.5 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.692 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.04 -87.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 125' ' ' PRO . 4.3 m 6.64 79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.2 OUTLIER -39.2 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 132' ' ' THR . 4.1 tp10 -70.06 -50.41 41.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -39.38 -52.48 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 148' ' ' PHE . 0.8 OUTLIER -56.49 -42.7 78.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 135' ' ' GLN . 1.9 mp -81.88 -3.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 128' ' ' GLU . 35.8 m -90.03 -45.21 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.528 ' CD1' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.94 -42.15 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.426 ' HB3' ' CG2' ' A' ' 144' ' ' VAL . 2.1 p -67.52 -44.32 78.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 131' ' ' ILE . 61.2 tt0 -71.46 -32.39 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 132' ' ' THR . 54.8 tt0 -76.44 -45.38 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 38.16 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . 172.6 -117.56 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.14 -35.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.39 -171.92 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.4 pp -100.42 -7.59 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.479 ' HB2' ' CG1' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -48.82 -61.06 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.438 ' OG1' ' CD ' ' A' ' 111' ' ' GLN . 0.5 OUTLIER -40.08 -53.4 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.741 ' CG1' ' CD2' ' A' ' 148' ' ' PHE . 25.0 t -50.42 -41.84 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.84 -38.29 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.545 ' ND2' ' CD2' ' A' ' 107' ' ' PHE . 8.7 t-20 -51.21 -52.85 40.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.687 ' CE1' ' HA ' ' A' ' 116' ' ' HIS . 3.1 t80 -78.99 -67.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.741 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 4.7 m-30 -34.4 -42.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -71.67 -51.88 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -55.48 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 147' ' ' PHE . . . -68.27 -70.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.568 HG21 ' CZ2' ' A' ' 66' ' ' TRP . 1.5 mp 62.99 101.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.489 ' ND2' ' NE1' ' A' ' 52' ' ' TRP . 4.2 m120 -79.33 -174.39 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.475 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 1.2 m -95.3 -58.28 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -44.38 12.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -22.1 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 1.2 t -72.51 -61.24 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.483 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -43.62 -56.0 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.57 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.453 ' CD1' HG11 ' A' ' 12' ' ' VAL . 3.3 mt -38.81 -39.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.506 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 2.3 m -61.55 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' ARG . 88.9 m -90.78 -1.37 57.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -96.36 -27.85 14.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.666 ' CD2' ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -85.4 -93.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -80.42 -6.95 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 84.56 -18.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.259 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 167.87 38.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -170.97 63.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 17' ' ' THR . 38.9 mm -59.23 115.93 14.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLN . 18.1 Cg_endo -75.0 83.65 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.549 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 2.9 mp0 -38.02 -42.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -63.67 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ARG . 39.7 mm -57.44 -57.08 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.666 ' CE1' ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.69 -17.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -92.71 -34.42 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -92.13 -0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CZ ' ' OG ' ' A' ' 78' ' ' SER . 0.1 OUTLIER -91.52 -78.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' CG1' ' H ' ' A' ' 35' ' ' LEU . 7.2 p -123.24 -58.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.589 HD22 ' CE2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -61.52 166.6 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -90.36 -49.27 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 89.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -170.85 139.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -103.81 64.21 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' THR . . . 99.35 34.54 5.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -34.63 -36.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.669 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 1.8 mt -39.44 -49.33 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.443 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -68.94 -45.01 71.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -49.14 -59.42 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 1.3 pp -61.33 -21.06 63.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.35 1.73 52.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -41.42 -28.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 46' ' ' LEU . 7.2 p-10 -86.95 152.8 54.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.0 OUTLIER -156.55 85.89 3.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.79 11.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.807 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.489 ' NE1' ' ND2' ' A' ' 8' ' ' ASN . 5.4 m0 54.53 53.79 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 50' ' ' LYS . 31.1 t -90.12 -41.61 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 75.75 17.81 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER 39.43 68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -47.96 -44.6 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 m -97.0 59.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.52 55.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -43.36 56.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.3 -32.92 51.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.473 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -58.64 -66.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.669 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 2.0 m-85 -43.09 -52.97 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' TRP . 10.7 ttm180 -54.48 -54.59 38.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -36.63 -42.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -47.77 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.617 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 2.6 m0 -54.71 -30.45 56.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.065 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.97 -54.13 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 1.1 t90 -46.74 -52.42 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.515 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 3.5 mt -50.45 -47.76 56.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -71.76 -75.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 60.4 136.15 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 63.32 5.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 39.09 73.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.07 36.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' NE2' ' CH2' ' A' ' 68' ' ' TRP . 0.3 OUTLIER -112.13 -24.36 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -71.0 60.24 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -173.12 -40.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.494 ' OG ' ' CZ ' ' A' ' 33' ' ' ARG . 15.1 m -75.76 -72.92 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.87 127.54 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.65 94.81 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.77 125.6 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.6 tt -93.96 88.33 5.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.55 58.32 4.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.78 84.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.78 150.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.269 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.71 -61.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 73.21 -63.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.75 64.45 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.56 172.58 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.16 167.48 19.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.242 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.9 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.2 m80 64.82 169.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.605 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 54.16 170.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.99 127.72 27.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 0.8 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -123.58 -60.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? 69.22 159.6 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.18 120.97 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.11 171.13 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.4 t -123.2 111.32 30.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.2 27.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -135.36 160.48 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.79 158.54 80.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 179.95 5.61 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -178.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.88 97.95 6.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 142' ' ' SER . 88.4 t -121.11 -88.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 106' ' ' VAL . 32.5 m-85 32.76 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.488 HG21 ' CG2' ' A' ' 110' ' ' VAL . 9.5 t -106.11 175.29 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -92.02 -46.87 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.488 ' CG2' HG21 ' A' ' 108' ' ' THR . 15.9 m -40.46 -49.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.552 ' NE2' ' CG2' ' A' ' 143' ' ' THR . 0.0 OUTLIER -70.08 -55.33 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.2 ptt180 -54.08 -16.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -82.01 -39.92 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.535 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 16.3 m -74.6 -55.86 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.616 HD22 ' CE1' ' A' ' 148' ' ' PHE . 0.3 OUTLIER -55.12 -36.15 65.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.625 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 30.6 t-80 -67.11 -31.68 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.16 -18.15 61.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.506 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 0.9 OUTLIER -75.98 -44.7 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -41.74 -27.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 118' ' ' ILE . 10.4 mmtt -68.5 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -179.25 104.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.34 -62.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -160.13 41.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 18.6 mtm180 -58.17 -42.63 95.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.01 56.43 4.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 m -153.41 105.89 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.44 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.414 ' O ' ' OG1' ' A' ' 132' ' ' THR . 0.0 OUTLIER -66.27 -30.79 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.476 ' CD1' HD13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -61.5 -53.72 52.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.573 ' HG3' ' CE2' ' A' ' 148' ' ' PHE . 0.4 OUTLIER -49.68 -36.16 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.425 HG13 ' NE2' ' A' ' 130' ' ' GLN . 1.1 mp -83.56 -24.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 128' ' ' GLU . 49.7 m -68.05 -48.47 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.56 ' C ' ' CD1' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -66.16 -44.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 139' ' ' LEU . 2.2 p -58.59 -40.29 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -80.54 -21.14 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -62.42 -42.17 99.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.37 23.54 6.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . 177.31 -120.42 0.73 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 168.85 -32.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -76.8 146.59 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.17 -6.83 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.492 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 12.9 m -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.552 ' CG2' ' NE2' ' A' ' 111' ' ' GLN . 15.2 p -65.72 -49.19 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.514 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 47.8 t -41.62 -53.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -52.48 -44.88 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 145' ' ' SER . 20.1 t-20 -36.77 -49.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.742 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 6.3 t80 -91.65 -69.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.616 ' CE1' HD22 ' A' ' 115' ' ' LEU . 1.2 m-30 -34.5 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -87.58 -49.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.425 ' N ' ' HE3' ' A' ' 149' ' ' MET . 9.0 t30 -65.09 -45.99 82.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.742 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -79.44 -62.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.567 HG23 ' CZ3' ' A' ' 66' ' ' TRP . 0.9 OUTLIER -78.27 -27.47 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.605 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER 74.92 161.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.593 ' C ' HG11 ' A' ' 12' ' ' VAL . 11.6 p -102.3 -39.13 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 25.8 tttt -90.35 -49.2 6.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.2 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.605 ' CG1' ' O ' ' A' ' 8' ' ' ASN . 6.3 p -67.46 -47.61 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.51 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -50.15 -58.65 5.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.59 -45.38 93.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 1.3 mtp85 -51.85 -32.65 32.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.541 ' CD1' HD23 ' A' ' 42' ' ' LEU . 9.4 mt -65.52 -63.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -55.29 -25.67 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -91.08 -19.58 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 2.4 mm-40 -93.82 -16.39 24.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.577 HD11 ' CE3' ' A' ' 68' ' ' TRP . 1.2 mt -90.22 -93.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -91.46 1.15 57.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 88.02 -24.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 164.48 37.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 178.24 72.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -91.49 140.85 25.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.06 85.71 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.55 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.18 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.68 -51.23 70.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' PRO . 11.1 mt -76.14 -44.28 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CZ ' ' HE1' ' A' ' 65' ' ' MET . 1.3 t80 -66.94 -4.65 10.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -91.16 -52.08 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.55 0.4 55.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' HG2' ' CB ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -77.73 -66.81 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 68' ' ' TRP . 90.2 t -120.33 -73.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -109.51 149.51 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -51.82 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.337 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HB3' ' CG2' ' A' ' 41' ' ' THR . 9.0 mmt85 -59.96 150.25 29.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 48.8 m -167.81 -178.35 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 78.31 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.09 31.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -51.76 -20.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.458 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.629 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 1.1 mp -66.14 -54.33 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.478 ' N ' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -56.55 -17.67 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' OD1' ' CA ' ' A' ' 93' ' ' GLY . 0.3 OUTLIER -69.77 -56.81 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -15.63 57.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.1 mm? -91.53 -6.53 52.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.4 ttt180 -38.18 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.508 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -59.04 178.24 0.22 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.02 58.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.575 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER 31.69 56.53 1.07 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 16.23 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.522 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 5.3 m-90 71.28 40.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' TRP . 3.2 t -36.74 -66.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 69.84 18.34 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.623 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm? 38.3 74.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -62.42 -32.51 73.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -84.48 50.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.77 58.91 0.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -50.18 -29.65 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.15 -29.71 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.9 m -66.53 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -42.46 -54.04 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.7 ttt-85 -64.84 -54.92 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HB3' ' CD2' ' A' ' 35' ' ' LEU . 6.4 mtt180 -36.95 -38.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.572 ' HE1' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -68.17 -51.62 43.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 2.0 m0 -54.96 -24.61 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 2.2 mttt -76.18 -31.05 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.577 ' CE3' HD11 ' A' ' 20' ' ' LEU . 5.8 t90 -62.39 -44.07 97.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.31 -20.78 29.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 3.1 tp60 -50.9 -61.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' GLN . 22.8 mm-40 -37.17 152.44 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -74.94 52.88 3.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER 34.29 81.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.453 ' N ' ' SD ' ' A' ' 77' ' ' MET . 3.7 t80 -167.59 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.45 ' NE2' ' CZ ' ' A' ' 33' ' ' ARG . 1.2 tm0? -96.2 -63.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.465 ' HA ' ' CD ' ' A' ' 33' ' ' ARG . 2.2 mtt180 -82.92 74.86 9.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.569 ' HA ' ' CH2' ' A' ' 68' ' ' TRP . 0.0 OUTLIER 179.57 -36.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.8 p -109.42 29.0 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 33' ' ' ARG . . . -44.38 129.0 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.33 125.43 34.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.59 -69.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.3 mt -142.52 -178.58 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.35 -68.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.9 157.96 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.2 p -178.0 -176.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp 69.48 142.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.6 127.51 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -76.68 123.56 26.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.83 75.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -48.51 129.03 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -148.93 128.3 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -124.75 122.28 37.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.594 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' CA ' ' OD1' ' A' ' 44' ' ' ASP . . . 46.78 -173.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.413 1.07 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 107.44 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 176.21 107.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.8 169.04 25.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.46 137.1 2.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -178.49 164.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.9 p -140.11 88.88 11.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.41 42.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.786 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -133.56 132.79 41.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.95 154.64 30.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.9 4.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -132.34 152.44 51.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.48 130.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.429 HG23 ' CB ' ' A' ' 142' ' ' SER . 14.5 m -137.96 -52.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 106' ' ' VAL . 0.4 OUTLIER 37.01 80.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.424 ' HB ' ' NE2' ' A' ' 111' ' ' GLN . 35.7 m -107.96 152.17 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.52 -38.35 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.421 ' CG1' HD22 ' A' ' 137' ' ' LEU . 58.4 t -59.12 -46.81 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 137' ' ' LEU . 0.7 OUTLIER -67.75 -58.63 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.511 ' NH2' ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -50.38 -21.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.21 -37.67 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.482 ' CG2' HG12 ' A' ' 133' ' ' ILE . 30.9 m -67.86 -59.59 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.501 ' HB3' ' CD2' ' A' ' 147' ' ' PHE . 3.3 tp -56.45 -45.86 80.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.61 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 20.8 t-80 -53.79 -28.72 36.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.21 -21.6 46.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.45 ' CG2' ' HA ' ' A' ' 124' ' ' ARG . 27.5 mm -70.87 -45.24 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.5 t80 -38.31 -35.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -56.19 -68.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.8 mt-10 165.99 101.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -154.01 -70.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -139.47 15.54 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 1.3 ttp180 -34.51 -53.55 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.98 67.77 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 36.6 m -165.05 89.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.82 -32.91 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -37.09 86.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.0 OUTLIER -61.39 -52.49 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.485 ' HG2' ' CG2' ' A' ' 144' ' ' VAL . 3.3 tm0? -46.46 -35.92 6.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.5 mt -86.17 -24.6 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 97.9 m -68.09 -47.85 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -65.37 -45.9 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.516 ' N ' HG22 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -63.54 -36.92 85.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.65 -8.32 58.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -46.52 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.454 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 1.9 mp -127.59 28.5 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -171.03 -121.3 0.58 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.5 OUTLIER 170.92 -40.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -78.85 161.0 27.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.54 0.43 54.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.429 ' CB ' HG23 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -50.96 -56.67 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 146' ' ' ASN . 2.3 t -52.6 -52.89 53.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.529 ' CG1' ' CD1' ' A' ' 148' ' ' PHE . 62.9 t -41.64 -46.9 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.27 -44.26 75.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -42.35 -45.51 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.61 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.2 t80 -90.34 -71.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.529 ' CD1' ' CG1' ' A' ' 144' ' ' VAL . 5.0 m-85 -34.3 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -82.55 -51.68 7.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 147' ' ' PHE . 28.1 t30 -62.99 -47.95 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.595 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -77.54 -66.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.609 ' CB ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.56 HG13 ' N ' ' A' ' 8' ' ' ASN . 0.4 OUTLIER 70.68 -45.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.56 ' N ' HG13 ' A' ' 7' ' ' ILE . 2.6 m-20 157.27 166.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.571 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 60.5 p -103.21 -46.45 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.65 -39.38 9.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -30.19 69.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.482 ' CG2' HG12 ' A' ' 7' ' ' ILE . 7.1 p -67.17 -55.02 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.479 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -45.28 -40.32 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -78.34 -36.53 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -63.37 -30.22 71.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.481 ' CD1' HD23 ' A' ' 42' ' ' LEU . 6.0 mt -69.96 -52.91 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' TYR . 89.2 m -69.71 -21.6 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 m -91.57 -27.76 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 7.3 tt0 -85.65 -54.91 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.693 ' CD1' ' CE3' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -46.15 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.4 tmtt? -90.21 -57.67 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.57 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 157.79 -23.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER 170.92 37.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER 164.91 75.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.038 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.532 HG12 ' CD2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -67.39 137.95 93.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.51 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.4 Cg_endo -74.96 106.38 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.3 mp0 -35.02 -68.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -31.97 -50.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' ' 26' ' ' PRO . 1.6 mp -59.5 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CD1' ' CD1' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -60.92 -10.83 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -92.41 -36.31 13.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -91.98 -12.31 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.429 ' HG2' ' NE1' ' A' ' 68' ' ' TRP . 5.6 mpt_? -79.47 -82.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.43 -54.87 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.522 HD21 ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -69.48 169.98 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 1.4 t -95.49 -40.41 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.12 92.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 m -166.28 131.94 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.462 ' OE1' ' CG ' ' A' ' 27' ' ' GLN . 6.9 pm0 -127.62 69.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.33 28.95 6.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -50.94 -19.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.625 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mp -69.12 -52.12 31.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB3' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -55.5 -20.51 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.982 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -59.05 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -20.32 64.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 62' ' ' PHE . 2.8 mm? -85.48 -20.75 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -39.52 -35.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' ND2' ' HD3' ' A' ' 50' ' ' LYS . 33.8 p30 -66.04 146.38 99.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 70.93 5.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HD3' ' ND2' ' A' ' 48' ' ' ASN . 2.5 mtpp -133.37 90.06 30.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 126.8 10.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.515 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 0.6 OUTLIER 70.69 50.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 4.7 t -84.37 -60.65 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 90.04 43.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 38.21 55.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -26.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 55' ' ' LEU . 12.5 m -100.16 62.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.82 61.87 0.51 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.11 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -47.91 -42.97 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 3.0 m -53.59 -55.75 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.625 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -45.53 -35.97 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.5 ttp85 -76.39 -31.25 57.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -61.4 -33.62 73.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.567 ' HE3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.27 -58.63 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.609 ' CH2' ' CB ' ' A' ' 6' ' ' GLU . 3.7 m0 -46.63 -27.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -64.88 -53.34 48.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.8 t90 -47.09 -49.49 21.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.588 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 22.2 mt -54.7 -40.55 69.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -79.07 -77.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER 66.66 165.78 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.77 7.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -171.2 -76.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -174.4 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' NE2' ' HD2' ' A' ' 33' ' ' ARG . 2.2 mm-40 68.72 81.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.0 OUTLIER 71.75 18.37 5.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 0.2 OUTLIER 83.36 -46.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.0 p 178.32 81.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.46 ' CB ' HG22 ' A' ' 29' ' ' ILE . . . 56.96 -159.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tt -125.03 -71.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 175.15 143.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.12 178.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 126' ' ' SER . . . -177.38 -62.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.42 167.38 12.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.4 p -163.2 132.14 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.331 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -177.75 6.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.91 136.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.83 174.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.67 133.1 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 62.53 103.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -112.28 -40.26 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.1 m170 61.53 96.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.46 173.47 49.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.57 110.65 23.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -173.78 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.03 156.91 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.8 110.36 0.25 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -174.25 159.79 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.21 111.06 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 172.77 15.72 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.766 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 144.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 156.93 31.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 134.05 17.45 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 173.81 153.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.24 97.31 5.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.524 HG13 ' CB ' ' A' ' 140' ' ' GLU . 1.0 OUTLIER -60.01 -92.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.46 ' N ' ' CG2' ' A' ' 106' ' ' VAL . 0.4 OUTLIER 56.53 76.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.425 ' HB ' ' NE2' ' A' ' 111' ' ' GLN . 4.7 m -117.99 171.61 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.48 -42.04 11.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.2 t -50.1 -51.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.465 ' CA ' HD11 ' A' ' 133' ' ' ILE . 6.4 mt-30 -64.23 -57.35 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 3.9 tmm_? -44.13 -26.69 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 111' ' ' GLN . 5.1 mtp180 -76.32 -43.5 40.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.489 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 39.4 m -61.12 -61.89 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 4.2 tp -55.1 -41.48 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.601 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 41.7 t60 -53.89 -27.99 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.39 -22.2 30.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 0.3 OUTLIER -66.68 -44.67 89.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.572 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.3 t80 -40.81 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.33 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 1.1 pt-20 161.67 111.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 17.0 t30 -176.55 -76.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.513 ' O ' ' CD1' ' A' ' 129' ' ' LEU . 18.1 mmtt -133.36 35.36 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 63.6 mtm180 -56.34 -41.18 89.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.96 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.0 m -27.6 92.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.3 mmtt -46.89 -32.78 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 131' ' ' ILE . 21.1 tp10 -66.07 -54.24 28.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -42.16 -45.57 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.558 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 11.3 tt0 -55.12 -43.1 73.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' GLU . 19.1 mm -84.06 -11.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 67.7 m -75.76 -43.12 48.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.512 HG23 ' N ' ' A' ' 134' ' ' SER . 0.0 OUTLIER -72.81 -47.3 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.512 ' N ' HG23 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -56.32 -38.23 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -84.43 -27.79 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.451 ' CG ' HD22 ' A' ' 137' ' ' LEU . 2.8 tp-100 -47.26 -50.41 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.7 OUTLIER -113.73 -26.21 8.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -115.66 -136.05 5.88 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.48 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.524 ' CB ' HG13 ' A' ' 106' ' ' VAL . 0.4 OUTLIER -76.58 -179.44 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.5 pp -100.49 2.95 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.457 ' CB ' HG11 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -49.77 -59.72 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 146' ' ' ASN . 1.4 t -48.67 -57.07 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.606 ' CG1' ' CD1' ' A' ' 148' ' ' PHE . 62.2 t -40.75 -41.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.6 OUTLIER -58.94 -47.43 85.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 143' ' ' THR . 28.4 t-20 -43.13 -42.82 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.647 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.4 t80 -87.59 -73.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.606 ' CD1' ' CG1' ' A' ' 144' ' ' VAL . 7.0 m-85 -35.17 -33.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -79.69 -53.29 6.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -65.11 -49.29 70.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.647 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -70.53 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.586 HG21 ' CZ2' ' A' ' 66' ' ' TRP . 2.6 mp 62.52 94.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 12' ' ' VAL . 1.1 t30 -79.57 -165.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.507 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 1.8 m -103.99 -55.88 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -82.35 -49.96 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -57.51 -25.28 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -77.67 -59.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -45.73 -53.66 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.97 -25.51 68.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -63.99 -65.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.493 ' CG2' HD21 ' A' ' 20' ' ' LEU . 2.5 mp -46.77 -29.03 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.496 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 1.1 m -69.1 -49.87 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -90.34 -1.46 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -92.55 -56.37 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.692 ' CD1' ' CE3' ' A' ' 68' ' ' TRP . 1.8 mp -55.57 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 21' ' ' LYS . 3.4 tmtt? -87.99 -63.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.594 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 160.21 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 3.6 m-85 -179.89 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 m -162.62 65.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 20' ' ' LEU . 24.3 mm -57.4 116.09 12.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HB2' ' CG1' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.91 96.02 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -43.08 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.09 64.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.471 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 28.6 mm -84.39 -55.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' ' HE3' ' A' ' 65' ' ' MET . 0.1 OUTLIER -64.47 -9.66 20.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.15 -42.35 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -92.14 -4.39 54.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 12.2 mmt-85 -88.75 -81.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -123.16 -61.83 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 30' ' ' PHE . 3.2 mp -59.36 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -57.58 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.78 88.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.9 p -171.54 124.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 pp0? -107.77 71.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' SER . . . 112.97 30.0 2.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -27.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.578 HD22 ' CD1' ' A' ' 62' ' ' PHE . 20.0 mt -67.02 -49.65 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLY . 23.9 m -65.84 -11.65 48.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -90.93 -41.11 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -82.57 -19.66 38.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 9' ' ' THR . 6.3 mp -80.95 -2.7 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.94 -38.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' CE ' ' A' ' 50' ' ' LYS . 14.2 p30 -77.3 135.31 65.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.546 ' CE ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -147.5 119.25 4.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.32 9.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.5 m0 66.45 59.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 55' ' ' LEU . 41.0 t -74.9 -10.65 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.03 32.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 41.95 75.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -45.1 18.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.52 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -146.91 97.99 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -45.91 -35.65 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.29 -32.24 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.8 m -59.21 -65.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 64' ' ' ARG . 6.2 ttt180 -62.22 -60.27 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -37.23 -33.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.555 ' HE3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -71.88 -54.64 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -57.15 -24.83 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.9 -48.05 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.692 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.9 t90 -51.07 -49.84 59.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 HD21 ' CD1' ' A' ' 20' ' ' LEU . 29.3 mt -47.0 -45.97 21.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -85.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 61.17 133.56 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.2 Cg_endo -75.02 46.78 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER 28.19 89.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.77 -66.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.46 ' CG ' ' HD3' ' A' ' 33' ' ' ARG . 5.2 pt20 -48.29 -58.69 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER 176.66 -32.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 41.0 52.2 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.65 -48.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB1' ' CH2' ' A' ' 68' ' ' TRP . . . 46.52 93.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.251 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.5 -178.81 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -134.85 -173.75 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 2.4 mp -95.68 -171.84 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.67 174.36 9.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 61.81 158.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.6 p -109.5 171.3 7.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -174.76 96.35 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 66.31 140.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -112.49 -64.56 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 63.35 130.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -139.15 140.01 37.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -141.65 176.58 8.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.89 166.31 10.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.574 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.53 -168.41 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt 54.49 -176.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -46.88 152.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -140.49 172.4 12.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.57 -134.07 1.66 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -160.82 -56.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.244 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.4 m 63.5 86.36 0.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.25 166.77 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.11 90.12 35.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -175.75 2.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.97 175.09 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.13 105.04 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 107' ' ' PHE . 21.5 m -108.37 -54.5 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.448 ' N ' ' CG2' ' A' ' 106' ' ' VAL . 7.5 m-85 39.87 67.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 m -96.4 151.85 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.27 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.31 -45.41 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.49 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 1.4 mp0 -67.96 -58.59 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -53.98 -24.03 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -71.49 -37.53 71.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.452 ' CG2' HG12 ' A' ' 133' ' ' ILE . 7.5 m -70.06 -59.37 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.573 HD22 ' CE1' ' A' ' 148' ' ' PHE . 10.5 tp -56.11 -47.38 78.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.601 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 16.3 t60 -48.23 -39.9 22.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.14 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.537 ' CG2' ' HA ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -69.59 -20.18 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.615 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -52.52 -19.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.76 66.48 1.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.48 ' CB ' HD11 ' A' ' 118' ' ' ILE . 0.7 OUTLIER -149.7 -80.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 0.8 OUTLIER 159.35 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.547 ' O ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER 165.38 48.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 10.1 mtm105 -79.91 -40.83 1.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.97 -95.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 125' ' ' PRO . 2.2 m 26.57 85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -26.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 126' ' ' SER . 8.3 tp10 -72.6 -41.72 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -61.68 -61.87 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 4.0 pt20 -40.13 -40.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.9 mt -78.89 -35.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 129' ' ' LEU . 54.6 m -57.93 -58.8 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.52 HG22 ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -51.11 -57.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 140' ' ' GLU . 0.8 OUTLIER -49.21 -58.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 135' ' ' GLN . 4.9 tt0 -56.46 -30.1 62.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 10.6 tt0 -50.28 -60.03 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 136' ' ' GLN . 0.3 OUTLIER -114.89 27.24 9.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -179.59 -125.8 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.542 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER 160.71 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 134' ' ' SER . 3.1 tp10 176.44 166.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.237 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -92.82 0.38 57.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.437 ' CB ' HG22 ' A' ' 106' ' ' VAL . 0.4 OUTLIER -61.27 -63.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.978 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 2.8 t -46.84 -47.08 21.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.641 ' CG1' ' CD2' ' A' ' 148' ' ' PHE . 66.2 t -44.69 -51.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.62 -32.65 63.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 143' ' ' THR . 19.8 t-20 -52.55 -49.92 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.625 ' CE1' ' HB2' ' A' ' 151' ' ' ALA . 0.2 OUTLIER -87.92 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.641 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 3.7 m-30 -33.48 -36.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -88.18 -51.64 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 146' ' ' ASN . 4.0 m-20 -55.54 -41.6 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.625 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . . . -89.63 -75.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.62 ' CG2' ' CZ3' ' A' ' 66' ' ' TRP . 2.9 mp 40.21 86.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.443 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 32.3 m-80 -116.07 -172.89 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.642 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 22.3 p -104.18 -56.4 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.364 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -92.36 -38.02 12.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -70.22 -24.05 63.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -78.22 -50.82 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.514 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -44.09 -52.29 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -27.37 66.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.6 -64.52 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.508 ' CG2' HD22 ' A' ' 20' ' ' LEU . 3.7 mt -39.03 -44.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.9 m -56.15 -48.43 76.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' ARG . 23.6 m -90.76 -1.16 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.34 -52.8 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.633 HD12 ' CE3' ' A' ' 68' ' ' TRP . 1.8 mm? -55.08 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 4.7 tmtm? -90.93 -61.78 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.588 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 4.0 tpt85 166.57 -28.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 170.84 36.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.4 ' HB3' ' NH2' ' A' ' 81' ' ' ARG . 1.1 m 174.6 73.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.588 HG12 ' CD2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -81.19 140.62 49.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.505 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 90.58 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.478 ' CB ' ' HB2' ' A' ' 38' ' ' SER . 5.8 mp0 -41.55 -28.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.13 -45.86 92.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -78.95 -51.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.617 ' CZ ' ' CE ' ' A' ' 65' ' ' MET . 0.6 OUTLIER -56.13 -14.51 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 35' ' ' LEU . . . -90.63 -39.04 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -92.57 3.03 56.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' CD ' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -89.57 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.6 t -117.17 -85.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -90.79 176.4 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -93.55 -44.06 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.482 ' HB3' ' CB ' ' A' ' 41' ' ' THR . 12.7 mtt-85 -64.55 112.23 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.478 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -116.6 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 71.9 46.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 49.85 41.26 35.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.482 ' CB ' ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -37.99 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.553 HD23 ' CD1' ' A' ' 62' ' ' PHE . 17.2 mt -56.66 -64.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.491 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -41.78 -50.09 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' HB3' ' CA ' ' A' ' 93' ' ' GLY . 80.8 m-20 -50.13 -61.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.08 -23.29 54.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -84.82 4.92 30.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -32.34 -38.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' LEU . 7.0 p-10 -85.22 143.35 39.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 100.77 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -140.89 107.29 6.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 128.61 11.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.526 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 13.0 m0 47.73 52.02 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.7 t -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 91.93 32.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.458 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 39.85 74.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -40.19 -40.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.63 -53.46 30.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.64 105.78 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -62.88 -15.66 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.9 p -49.54 -53.56 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.642 ' CZ ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -50.14 -62.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -57.8 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HB3' ' CD2' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -41.53 -35.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.617 ' CE ' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -72.06 -56.82 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.62 ' CZ3' ' CG2' ' A' ' 7' ' ' ILE . 1.8 m0 -54.85 -22.71 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -44.8 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.633 ' CE3' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -50.04 -53.6 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.502 HD21 ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -59.11 -39.86 83.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -57.37 10.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -39.29 154.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.85 4.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.28 100.81 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -112.64 45.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 64.84 76.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.57 -57.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -40.72 51.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 m -150.94 -69.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.57 112.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 tp -150.39 153.44 36.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.4 ' NH2' ' HB3' ' A' ' 24' ' ' SER . 0.0 OUTLIER -149.84 124.36 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 pp -159.6 120.55 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 66.63 163.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 74.43 -66.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 42.42 85.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 108.337 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -43.73 155.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -141.65 166.19 25.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.42 122.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -173.35 122.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.339 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.41 133.57 21.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 0.9 OUTLIER -172.25 166.85 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 91' ' ' GLU . 30.8 m170 -152.26 137.18 17.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.567 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' ' 44' ' ' ASP . . . 62.15 -170.9 10.76 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' GLY . 1.6 tttp -38.93 142.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 94' ' ' LYS . 3.4 p-10 -39.82 128.44 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -178.18 85.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -172.85 -175.73 40.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -166.64 171.4 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.5 m -157.92 109.48 1.76 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -174.12 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.56 -177.92 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.06 111.43 0.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 170.77 19.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.85 -176.67 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tp -145.65 115.59 7.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.525 ' CG2' ' N ' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -112.04 -78.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 106' ' ' VAL . 2.3 t80 51.38 84.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -118.47 166.6 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.07 -37.7 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.33 -51.14 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' THR . 1.0 OUTLIER -57.16 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -45.6 -32.43 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.474 ' CG2' HG13 ' A' ' 133' ' ' ILE . 49.8 m -68.72 -60.61 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 147' ' ' PHE . 6.6 tp -57.14 -43.65 82.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.655 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 6.4 t-80 -51.81 -33.95 37.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.63 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.66 -22.79 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.46 HG13 ' CD1' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -69.46 -40.12 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.589 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 0.6 OUTLIER -42.73 -32.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.9 mttm -49.23 -65.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.1 mt-10 162.89 107.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.25 -65.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.506 ' O ' ' CD2' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -148.8 47.03 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 26.9 mtm105 -52.5 -43.95 93.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.644 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -74.99 -90.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.644 ' C ' ' O ' ' A' ' 125' ' ' PRO . 14.4 m 15.02 75.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 126' ' ' SER . 2.0 mmtm -39.68 -34.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.86 -50.74 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -44.19 -56.74 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.518 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 0.0 OUTLIER -43.75 -46.59 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.0 mt -74.85 -26.05 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' ' 129' ' ' LEU . 6.8 m -65.06 -53.08 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.483 HG22 ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.01 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.471 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 1.0 OUTLIER -48.63 -55.56 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.78 -24.29 66.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.0 tt0 -51.35 -57.85 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 mp -116.86 14.46 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.358 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 139' ' ' LEU . . . -147.27 -143.13 3.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 138' ' ' GLY . 12.0 mt -151.03 -46.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.477 ' CB ' HG13 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -88.23 177.69 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.74 1.4 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.33 -54.48 5.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 134' ' ' SER . 1.2 t -51.1 -54.62 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.566 HG12 ' CD1' ' A' ' 148' ' ' PHE . 57.4 t -44.39 -43.66 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.4 OUTLIER -56.18 -40.8 74.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 143' ' ' THR . 55.0 t-20 -49.81 -54.08 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.6 t80 -73.99 -65.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.566 ' CD1' HG12 ' A' ' 144' ' ' VAL . 3.8 m-85 -40.0 -27.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.8 ttp -87.71 -53.52 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.426 ' N ' ' HE1' ' A' ' 149' ' ' MET . 0.5 OUTLIER -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -78.48 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' PHE . 46.7 ttt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.515 HG22 ' CE2' ' A' ' 66' ' ' TRP . 1.3 tp -156.45 121.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.01 179.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.454 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -101.41 -44.86 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -91.89 -36.31 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.59 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 5.4 p -68.46 -44.46 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 42' ' ' LEU . . . -59.54 -59.08 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -26.75 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 19' ' ' GLU . 16.3 ttt180 -67.5 -64.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 12' ' ' VAL . 3.4 mt -40.74 -32.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 1.1 m -68.03 -48.84 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' ARG . 8.7 m -89.18 -1.43 58.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.05 -41.14 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.607 ' CD1' ' CE3' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -76.42 -87.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.3 tmtt? -79.72 -67.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 166.43 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 174.0 36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m 174.88 72.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.524 HD11 ' CB ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.58 137.44 88.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.614 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 96.2 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -41.25 -28.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -65.43 -36.6 84.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.614 ' N ' ' O ' ' A' ' 26' ' ' PRO . 34.5 mm -76.51 -54.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' HE1' ' A' ' 65' ' ' MET . 0.1 OUTLIER -64.99 -7.29 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -90.28 -41.38 11.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -92.42 -7.31 47.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.31 -80.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.43 ' CG2' ' H ' ' A' ' 35' ' ' LEU . 22.9 m -123.56 -59.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' CD2' ' HE1' ' A' ' 65' ' ' MET . 0.0 OUTLIER -66.9 160.14 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -77.19 -53.05 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -168.66 96.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -170.3 127.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 1.2 pp0? -110.65 57.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 116.07 29.18 2.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.465 ' CG2' ' HE2' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.9 -28.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 62' ' ' PHE . 23.7 mt -64.04 -57.53 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.7 m -64.17 -12.85 44.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -85.94 -48.84 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -75.56 -20.0 58.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 10' ' ' LYS . 7.7 mp -80.3 0.33 33.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -35.9 -58.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.17 155.33 92.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.424 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.0 109.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -157.12 93.64 2.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.28 13.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.3 m0 63.58 38.97 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -65.37 -42.93 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 66.78 10.19 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 49.72 64.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -45.76 -45.3 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.0 87.58 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -71.29 -36.62 71.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 0.763 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -53.53 -35.89 61.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -55.9 -66.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.1 OUTLIER -40.61 -39.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ARG . 2.1 ttt180 -66.96 -58.37 5.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' ARG . 70.3 mtt-85 -37.58 -40.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.603 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -65.79 -59.01 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 1.8 m0 -51.38 -26.99 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -69.02 -35.0 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.607 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 7.1 t90 -56.81 -43.51 81.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -85.09 -34.35 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.504 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 5.0 tt0 -78.65 2.67 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.589 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 1.4 mm-40 -131.72 54.87 15.52 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.589 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -74.98 -27.81 9.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -36.71 93.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' PRO . 3.2 m-85 54.94 67.11 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -104.58 15.2 28.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.08 26.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 48.84 51.28 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ALA . 28.3 p 60.78 73.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 29' ' ' ILE . . . -40.57 151.67 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.26 120.41 6.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 175.34 161.5 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.68 168.8 9.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.5 -163.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -112.21 150.98 30.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.63 172.52 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' ARG . 18.8 mttt -52.15 171.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' LYS . 2.0 ttp180 -38.82 110.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -117.56 -179.37 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 90' ' ' GLN . 6.1 tt0 64.65 119.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER 167.63 73.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.17 71.28 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -175.9 95.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -41.52 163.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.434 1.083 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.23 166.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.08 167.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -164.42 170.08 16.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.38 151.06 5.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 175.9 145.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 0.735 . . . . 0.0 109.362 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 m -162.48 86.23 1.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.68 5.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.98 112.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -172.46 149.48 2.05 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -176.26 2.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.787 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.78 64.52 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 tp -167.52 129.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 140' ' ' GLU . 96.9 t -138.5 -79.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.422 ' CE1' ' CG ' ' A' ' 146' ' ' ASN . 6.6 t80 44.55 80.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.5 m -110.57 147.59 33.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -75.48 -47.46 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.1 t -55.89 -48.51 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -61.62 -60.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -21.67 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.7 OUTLIER -75.46 -35.82 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.537 ' CG2' HG13 ' A' ' 133' ' ' ILE . 35.1 m -77.57 -53.12 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -55.48 -43.66 75.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.662 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 38.3 t60 -57.18 -41.77 79.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.35 -18.37 64.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 120' ' ' LYS . 0.6 OUTLIER -73.68 -42.0 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -37.31 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -106.22 -39.65 5.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -37.44 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 7.1 p-10 154.54 -20.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.52 ' O ' ' CD1' ' A' ' 129' ' ' LEU . 20.1 mtmt -83.91 17.44 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.628 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -52.6 -44.0 93.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.2 Cg_endo -75.03 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.602 ' C ' ' O ' ' A' ' 125' ' ' PRO . 19.3 m -21.38 94.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 131' ' ' ILE . 0.3 OUTLIER -51.18 -25.02 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.81 -25.88 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -72.68 -55.58 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.542 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -54.23 -32.0 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 24.4 mt -83.98 -31.33 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 m -64.75 -46.78 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.537 HG13 ' CG2' ' A' ' 114' ' ' THR . 0.0 OUTLIER -72.97 -56.7 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 144' ' ' VAL . 39.1 p -48.17 -34.87 10.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.03 -23.29 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -50.57 -55.27 16.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.5 mp -123.1 22.92 9.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -160.34 -130.62 1.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 176.76 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 5.7 tp10 -84.21 164.8 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 144' ' ' VAL . 0.3 OUTLIER -89.09 0.27 56.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.417 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.6 OUTLIER -47.41 -55.89 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 3.1 t -60.47 -48.01 83.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 79.3 t -40.87 -55.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -51.44 -41.73 61.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 143' ' ' THR . 34.9 t-20 -41.07 -50.68 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.708 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 2.4 t80 -91.29 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.57 ' CD1' HD11 ' A' ' 115' ' ' LEU . 1.7 m-30 -34.53 -34.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -87.0 -50.25 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.17 -45.34 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.708 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.97 -63.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.587 HG23 ' CE3' ' A' ' 66' ' ' TRP . 1.9 mp 64.2 110.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.43 -171.1 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.525 ' O ' ' CZ ' ' A' ' 62' ' ' PHE . 1.2 m -102.36 -47.34 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.77 -42.77 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -32.05 72.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG2' ' NE1' ' A' ' 66' ' ' TRP . 7.5 p -55.13 -55.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.512 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -47.23 -58.4 4.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.9 -21.49 63.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -73.14 -58.53 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mt -43.4 -33.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.538 ' HA ' ' CG1' ' A' ' 25' ' ' ILE . 85.6 m -69.3 -50.63 44.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -82.74 -2.65 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.68 -60.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.62 ' HG ' ' CZ3' ' A' ' 68' ' ' TRP . 1.4 mp -56.89 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -85.65 -75.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.547 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 173.55 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER 177.42 35.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -162.42 61.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.06 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.538 ' CG1' ' HA ' ' A' ' 17' ' ' THR . 17.4 mm -58.83 120.46 46.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.01 85.1 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' OE1' ' CD ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -43.1 -29.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.29 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -78.69 -46.15 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 39' ' ' GLN . 4.4 t80 -59.65 -13.3 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 35' ' ' LEU . . . -89.27 -54.39 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -79.81 1.15 27.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.447 ' HG3' ' CG2' ' A' ' 29' ' ' ILE . 4.1 mmm180 -90.04 -67.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.633 ' CG2' ' CD1' ' A' ' 68' ' ' TRP . 21.8 t -114.49 -76.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' ' CE ' ' A' ' 65' ' ' MET . 0.4 OUTLIER -127.15 145.26 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -42.11 37.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.61 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.509 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 41.3 t -59.19 148.22 32.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -39.0 -42.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -41.46 -24.75 0.14 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 39' ' ' GLN . 3.1 t -57.04 -35.42 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -72.93 -58.31 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.3 p -65.67 -9.41 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' GLY . 4.2 m-20 -73.79 -53.9 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.52 -19.97 51.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -91.18 0.52 57.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' LEU . 9.3 ttt85 -33.74 -40.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -74.73 131.44 79.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 86.64 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -129.45 144.3 52.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.621 ' HB2' ' CE3' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 112.49 3.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.621 ' CE3' ' HB2' ' A' ' 51' ' ' PRO . 2.8 m-90 44.75 90.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 4.1 t -89.13 -40.4 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER 81.06 83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -38.38 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -65.45 -24.67 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.417 ' CB ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -56.37 -48.77 76.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -177.55 107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -11.28 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.68 -56.24 11.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.425 ' O ' ' SD ' ' A' ' 65' ' ' MET . 9.0 t -48.06 -34.55 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 0.2 OUTLIER -58.68 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 66' ' ' TRP . 8.8 ttt180 -60.48 -33.28 72.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 67' ' ' LYS . 32.7 mmt180 -53.4 -63.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.148 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.495 ' SD ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -45.9 -44.33 14.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 6.8 m0 -53.54 -31.44 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ARG . 5.5 mtpp -61.94 -45.69 92.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.633 ' CD1' ' CG2' ' A' ' 34' ' ' VAL . 1.8 t90 -45.17 -46.1 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.976 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 20' ' ' LEU . 27.9 mt -52.88 -41.76 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -60.63 -42.43 96.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' OE1' ' CA ' ' A' ' 76' ' ' ARG . 13.5 mt-10 65.42 141.44 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -75.06 53.65 3.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' PRO . 1.2 mp0 59.94 123.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 57.78 80.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' C ' ' OE1' ' A' ' 71' ' ' GLU . 3.1 mt-30 -173.06 36.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' CA ' ' OE1' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -105.44 44.27 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.62 34.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.93 -68.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . . . -41.67 101.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.49 113.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -87.13 92.01 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 149.33 45.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.57 -35.74 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.55 116.34 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.43 161.88 38.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.351 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 15.27 24.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.83 127.51 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.45 137.14 36.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.78 163.52 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -98.78 -54.16 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' CD ' ' OE1' ' A' ' 27' ' ' GLN . 8.8 tt0 61.26 126.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -177.71 100.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.589 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.68 151.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 106.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.4 172.46 2.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.1 122.28 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.2 156.14 26.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 173.45 170.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 t -169.0 144.44 2.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.36 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -169.41 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -157.72 176.73 12.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 154.53 43.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.33 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.88 -175.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.69 104.31 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' A' ' 107' ' ' PHE . 2.7 m -104.54 -44.83 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 106' ' ' VAL . 66.2 t80 28.69 93.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.3 m -113.23 160.59 18.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 7.8 p-10 -87.26 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 56.2 t -56.58 -38.17 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.514 ' HA ' ' CD1' ' A' ' 133' ' ' ILE . 5.6 tm0? -62.4 -59.52 4.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 1.9 tmm_? -58.66 -30.99 67.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -54.53 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.462 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 20.4 m -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.519 ' HB3' ' CD2' ' A' ' 147' ' ' PHE . 5.1 tp -51.14 -45.59 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.579 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 25.0 t60 -52.47 -27.73 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.9 -22.9 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.515 ' CD1' ' CB ' ' A' ' 122' ' ' ASN . 0.4 OUTLIER -67.81 -43.23 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.582 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.2 t80 -39.69 -28.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.14 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.426 ' HA ' ' NE ' ' A' ' 124' ' ' ARG . 25.3 tt0 179.6 105.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.515 ' CB ' ' CD1' ' A' ' 118' ' ' ILE . 1.2 m-20 -165.85 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.534 ' HB3' ' CB ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -142.71 41.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.668 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 16.7 mtm180 -58.83 -41.47 88.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.97 -49.87 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 125' ' ' PRO . 16.0 m -38.4 92.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.2 tmtp? -45.33 -39.52 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 131' ' ' ILE . 1.8 mm-40 -58.7 -51.3 70.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -44.51 -49.08 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.572 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -50.35 -37.82 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 128' ' ' GLU . 3.8 mt -84.41 -25.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 129' ' ' LEU . 62.4 m -59.95 -48.95 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.528 ' CG2' ' N ' ' A' ' 134' ' ' SER . 0.2 OUTLIER -68.6 -55.49 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.528 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.3 OUTLIER -49.95 -33.6 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.19 -25.4 27.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.82 -18.46 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -138.59 22.78 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 172.24 -117.36 0.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.4 OUTLIER 174.47 -34.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.97 160.01 28.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.17 1.54 54.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.463 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -55.41 -57.06 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.496 HG21 ' CG2' ' A' ' 106' ' ' VAL . 18.0 p -51.37 -49.5 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.582 HG11 ' CD1' ' A' ' 148' ' ' PHE . 55.9 t -42.74 -48.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.85 -40.93 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 143' ' ' THR . 54.2 t-20 -43.64 -51.2 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 119' ' ' PHE . 0.8 OUTLIER -84.76 -66.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.582 ' CD1' HG11 ' A' ' 144' ' ' VAL . 4.5 m-85 -35.5 -33.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -90.45 -47.0 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.407 ' N ' ' HE3' ' A' ' 149' ' ' MET . 8.3 t30 -61.35 -43.92 98.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.551 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -81.23 -47.95 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.544 HG23 ' CE2' ' A' ' 66' ' ' TRP . 7.9 tp -119.2 -3.26 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER 80.84 169.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -102.83 -37.24 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -100.46 -44.98 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 1.6 mt-10 -63.99 -21.5 66.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 ' NE1' ' A' ' 66' ' ' TRP . 13.3 p -69.39 -57.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.509 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -48.39 -56.53 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -37.99 86.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 16.1 mtt-85 -56.13 -44.22 78.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 4.5 mt -53.44 -62.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 m -55.8 -55.41 32.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 22' ' ' ARG . 26.1 m -59.06 -20.33 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 2.1 tt0 -94.17 -17.12 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.568 ' HG ' ' CZ3' ' A' ' 68' ' ' TRP . 3.6 mp -91.19 -93.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -89.41 -0.74 57.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 87.31 -26.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 163.79 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -174.63 61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.594 HG12 ' CD2' ' A' ' 30' ' ' PHE . 1.6 tp -81.81 138.85 46.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.4 Cg_endo -75.01 82.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.12 -30.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -59.5 -53.03 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -75.25 -49.12 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.3 t80 -58.27 -11.74 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -89.0 -43.71 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.93 0.49 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' NH1' ' HG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -78.21 -68.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.39 -75.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.429 HD12 ' CE ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -104.68 153.04 21.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.02 -50.26 74.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' CB ' HG23 ' A' ' 41' ' ' THR . 22.1 mtt180 -59.67 142.47 52.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.484 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 34.3 m -156.32 -179.08 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 73.48 40.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.28 34.46 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.434 HG23 ' CB ' ' A' ' 37' ' ' ARG . 2.1 t -48.07 -39.45 20.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.673 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -44.54 -43.04 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -72.17 -38.32 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 6.5 t70 -61.07 -56.57 19.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 55' ' ' LEU . 2.7 pp -63.77 -23.33 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 47' ' ' ARG . 16.3 mt -80.58 2.77 24.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.1 tpt180 -29.38 -46.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -66.9 122.29 81.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -149.46 135.55 10.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.88 5.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 61.16 64.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.48 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 1.2 t -68.67 -44.57 73.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 46.91 32.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER 39.12 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -19.86 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.7 m -113.34 36.78 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.33 60.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -39.28 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.27 -43.71 74.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.9 m -50.78 -62.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -40.45 -43.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.466 ' CG ' ' HE3' ' A' ' 67' ' ' LYS . 15.9 ttm180 -70.35 -55.0 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -37.83 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.485 ' HG2' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.39 -54.88 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 3.7 m0 -52.05 -24.46 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HE3' ' CG ' ' A' ' 63' ' ' ARG . 9.0 mmtt -66.87 -52.68 40.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CZ3' ' HG ' ' A' ' 20' ' ' LEU . 1.2 t90 -42.6 -52.77 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.48 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 4.8 mt -41.66 -54.79 3.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -72.34 -74.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.38 137.95 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.3 Cg_endo -75.01 53.14 3.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' PRO . 13.0 mt-10 36.34 62.3 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -173.26 56.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 170.08 43.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -37.65 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -7.21 48.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.489 ' HG ' ' NH1' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -85.16 -68.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' N ' HG23 ' A' ' 29' ' ' ILE . . . -42.43 -45.96 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mp -97.51 94.79 7.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.45 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 tt -42.91 119.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -133.64 47.43 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.541 ' CB ' ' NH1' ' A' ' 87' ' ' ARG . . . -79.35 74.32 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -63.07 161.03 13.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.27 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 67.43 68.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.541 ' NH1' ' CB ' ' A' ' 84' ' ' ALA . 0.1 OUTLIER -103.89 160.99 14.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.9 138.11 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 51.86 99.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.87 79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -151.53 174.52 13.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 64.5 126.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.596 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -55.62 -164.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 77.19 -70.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t0 70.22 150.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 164.1 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.2 124.68 0.9 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 170.81 162.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.5 t -165.06 145.79 6.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -74.99 85.02 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER 171.05 124.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -150.83 64.16 6.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 102' ' ' LYS . 18.2 Cg_endo -75.04 97.83 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.769 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -52.08 146.86 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.07 132.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 142' ' ' SER . 10.3 m -134.28 -59.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.494 ' CE2' ' ND2' ' A' ' 146' ' ' ASN . 4.6 t80 32.9 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.416 ' CB ' HD11 ' A' ' 137' ' ' LEU . 16.9 m -114.01 165.99 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -84.67 -47.66 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.21 -53.48 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.553 ' HG2' ' CD1' ' A' ' 137' ' ' LEU . 0.7 OUTLIER -51.38 -60.77 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -45.89 -23.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.558 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 4.6 ttp180 -86.66 -33.5 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 111' ' ' GLN . 49.7 m -68.11 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.518 ' CD1' HG21 ' A' ' 133' ' ' ILE . 7.0 tp -54.68 -44.26 73.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.639 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 75.0 t60 -56.94 -27.33 60.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.11 -20.23 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 120' ' ' LYS . 1.1 tp -75.81 -43.79 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 1.0 OUTLIER -37.71 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 118' ' ' ILE . 22.8 mmtt -59.3 -72.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 171.64 102.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.21 -53.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 126' ' ' SER . 0.0 OUTLIER -164.86 36.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.49 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 4.4 mtp180 -36.52 -52.18 1.85 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.632 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.4 Cg_endo -74.98 -95.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 125' ' ' PRO . 1.9 m 18.4 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -45.51 -28.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.2 OUTLIER -68.79 -36.82 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.529 ' CD1' ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -61.94 -57.83 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.529 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 3.3 tt0 -45.96 -31.87 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 22.5 mm -90.54 -26.46 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 27.8 m -57.99 -35.79 71.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -86.56 -54.32 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.496 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.8 OUTLIER -53.78 -31.41 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.519 ' CG ' ' O ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -83.83 -29.9 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -53.92 -42.7 69.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.553 ' CD1' ' HG2' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -92.9 -40.83 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 139' ' ' LEU . . . -152.98 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 138' ' ' GLY . 3.7 pp 178.53 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.84 147.59 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.0 pp -82.89 1.04 41.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.467 ' CB ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -49.66 -55.2 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.428 HG21 ' CD2' ' A' ' 137' ' ' LEU . 0.4 OUTLIER -55.76 -48.13 75.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.569 HG12 ' CD1' ' A' ' 148' ' ' PHE . 17.3 t -46.66 -51.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -48.44 -44.6 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.494 ' ND2' ' CE2' ' A' ' 107' ' ' PHE . 9.9 t-20 -43.79 -49.53 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . 0.711 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.7 t80 -88.53 -67.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.569 ' CD1' HG12 ' A' ' 144' ' ' VAL . 2.0 m-85 -34.53 -37.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.1 OUTLIER -78.61 -55.27 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -47.51 84.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.711 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -75.4 -70.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.668 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 3.5 mp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.51 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -89.63 -168.83 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 3.0 m -101.34 -56.51 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -88.67 -31.73 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.82 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.584 ' O ' HD12 ' A' ' 16' ' ' ILE . 1.2 p -72.36 -41.21 65.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -65.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.89 -30.19 57.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.568 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.62 -60.23 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.72 ' O ' HD22 ' A' ' 20' ' ' LEU . 4.2 mt -38.05 -37.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 23' ' ' TYR . 18.1 m -67.84 -51.46 48.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' ARG . 23.8 m -82.8 0.76 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.43 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.858 ' HG2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -90.78 -48.83 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.793 HD23 HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -64.24 -82.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -88.07 -73.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 176.89 -33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 3.9 m-85 -179.04 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.72 66.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.793 HD13 HD23 ' A' ' 20' ' ' LEU . 1.1 tp -58.07 134.33 84.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.05 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 3.6 mp0 -39.38 -41.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -54.46 -63.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.07 -56.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.772 ' CD2' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -55.42 -15.61 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.783 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -91.24 -33.94 15.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.39 -3.78 58.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.644 ' NE ' ' CZ2' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -90.84 -77.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.8 -67.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.772 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -58.89 166.93 1.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.783 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -93.42 -47.51 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.15 99.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -171.11 132.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 3.0 tm0? -109.78 69.46 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 100.65 32.62 5.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.652 HG22 ' HE1' ' A' ' 65' ' ' MET . 0.1 OUTLIER -40.01 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.643 ' CD1' HD13 ' A' ' 16' ' ' ILE . 30.9 mt -64.15 -54.76 28.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -62.3 -12.8 22.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 41' ' ' THR . 5.5 t70 -90.23 -46.84 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.944 HD12 ' HG ' ' A' ' 55' ' ' LEU . 2.3 tm? -71.69 -23.58 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -80.78 1.05 32.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' LEU . 4.1 tpp180 -36.43 -45.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' LEU . 6.5 p30 -78.4 151.96 78.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -153.52 102.47 2.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.59 15.59 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.2 m0 58.69 39.26 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -67.47 -14.01 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.971 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 30.72 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.944 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER 37.59 86.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -28.81 69.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -61.99 -68.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.18 86.68 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -38.04 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.44 -34.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.484 HG22 HD21 ' A' ' 42' ' ' LEU . 19.9 m -58.66 -64.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.749 ' CE2' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.32 -51.17 11.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ARG . 5.0 ttm-85 -56.03 -58.8 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' ARG . 22.9 mmt180 -35.94 -38.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.652 ' HE1' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -72.67 -55.03 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.668 ' CZ3' HG21 ' A' ' 7' ' ' ILE . 5.3 m0 -51.78 -26.89 10.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -65.3 -53.24 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.644 ' CZ2' ' NE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -43.72 -56.87 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.858 HD13 ' HG2' ' A' ' 19' ' ' GLU . 3.5 mt -56.05 -45.04 79.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 71' ' ' GLU . 4.4 mm100 -61.05 -72.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.654 ' CD1' ' ND2' ' A' ' 146' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.528 0.204 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.841 HG22 HG12 ' A' ' 110' ' ' VAL . 52.8 m -109.22 137.7 46.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.26 -59.08 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.841 HG12 HG22 ' A' ' 108' ' ' THR . 11.7 p -44.89 -36.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 1.05 ' NE2' HG21 ' A' ' 143' ' ' THR . 34.8 mt-30 -73.52 -57.96 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 6.4 ttp180 -51.01 -26.13 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -70.74 -46.12 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.525 ' CG2' HG12 ' A' ' 133' ' ' ILE . 32.8 m -61.08 -60.87 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 144' ' ' VAL . 4.6 tp -55.94 -43.26 77.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.551 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 2.7 t-80 -47.3 -34.86 7.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.72 -35.63 70.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -56.34 -29.12 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 2.4 t80 -49.29 -27.5 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -126.61 55.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.823 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -130.02 -90.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 121' ' ' GLU . 6.6 t-20 175.91 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.976 ' HB3' HD13 ' A' ' 129' ' ' LEU . 5.5 mttm -88.44 31.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.644 ' HA ' HG23 ' A' ' 118' ' ' ILE . 1.7 mtm105 -47.52 -49.19 56.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.03 -91.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 25.76 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -25.71 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.36 -38.73 63.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.976 HD13 ' HB3' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -65.96 -56.43 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.784 ' N ' HD23 ' A' ' 129' ' ' LEU . 3.6 pt20 -46.33 -34.6 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 131' ' ' ILE . 16.1 mm -84.64 -27.59 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.6 m -62.87 -38.28 90.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -78.87 -50.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.628 ' HA ' HE21 ' A' ' 111' ' ' GLN . 0.3 OUTLIER -56.62 -31.58 64.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -14.49 33.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -61.63 -59.57 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.492 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.3 mp -116.47 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -142.96 -134.4 2.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.3 OUTLIER -171.92 -41.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.29 168.41 16.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 0.3 55.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.2 t -50.38 -55.21 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . 1.05 HG21 ' NE2' ' A' ' 111' ' ' GLN . 60.8 p -49.4 -53.82 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.758 ' HA ' HD23 ' A' ' 115' ' ' LEU . 74.9 t -41.16 -49.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.35 -42.99 92.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 107' ' ' PHE . 4.8 t-20 -41.16 -47.99 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.609 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -87.54 -66.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.656 ' CE1' HG13 ' A' ' 144' ' ' VAL . 10.2 m-85 -36.76 -30.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.4 tmm? -84.84 -52.3 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -63.21 -46.71 85.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.596 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -79.15 -78.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 12' ' ' VAL . 1.6 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.514 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 3.3 m120 -79.24 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 10' ' ' LYS . 11.1 t -100.58 -54.34 2.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.604 ' HG3' HD12 ' A' ' 46' ' ' LEU . 11.6 tttt -92.01 -30.24 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.724 HG21 HG23 ' A' ' 7' ' ' ILE . 9.9 p -78.35 -39.27 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -56.18 -66.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -54.89 -29.13 55.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -67.78 -52.49 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.01 HD13 HD12 ' A' ' 42' ' ' LEU . 5.4 mt -41.68 -43.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -66.5 -52.47 45.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.4 m -73.95 -1.86 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 15' ' ' ARG . 2.6 mm-40 -91.06 -58.53 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.781 HD22 ' O ' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -53.34 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -90.81 -67.45 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 165.74 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.7 m-85 176.11 36.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.73 53.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.644 HD13 HD23 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.14 138.9 91.38 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 80.45 2.43 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.609 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -46.14 -24.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -41.84 78.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -83.32 -50.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.531 ' CD1' HD11 ' A' ' 25' ' ' ILE . 22.8 t80 -58.14 -12.93 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.92 -43.27 10.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -90.77 1.48 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.81 -70.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.743 HG13 ' H ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -123.43 -79.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.743 ' H ' HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -93.58 147.83 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.36 -43.96 96.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.896 ' HB3' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -59.55 147.58 36.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.527 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 m -160.84 -178.65 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 72.19 42.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 53.44 27.66 34.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.896 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -39.09 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.423 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.01 HD12 HD13 ' A' ' 16' ' ' ILE . 39.0 mt -49.28 -42.55 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 1.1 t -66.92 -24.4 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.0 t70 -80.3 -55.76 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.974 HD13 HD11 ' A' ' 55' ' ' LEU . 1.1 pp -65.01 -17.66 64.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.71 -5.61 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -33.27 -38.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' LEU . 44.6 t30 -69.89 122.44 86.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.31 2.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.439 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.67 122.28 1.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 127.77 10.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.0 m0 57.19 39.42 28.84 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -49.53 -54.59 17.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 74.58 30.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.974 HD11 HD13 ' A' ' 45' ' ' LEU . 2.4 mm? 39.69 64.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -41.25 -46.02 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 m -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -149.11 74.93 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' GLY . 4.4 tmm_? -38.88 -31.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -47.77 -35.55 10.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 m -58.74 -63.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.878 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.6 -47.9 14.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -60.5 -56.68 18.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.642 ' HB2' HD23 ' A' ' 35' ' ' LEU . 1.1 mtp85 -38.64 -39.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.818 ' HG3' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -72.78 -49.35 31.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.567 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 8.8 m0 -58.25 -27.49 64.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -63.57 -51.98 62.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.49 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -45.51 -60.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.034 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.9 mt -39.36 -45.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -82.3 -86.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 107' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.5 0.191 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.781 HG22 HG12 ' A' ' 110' ' ' VAL . 1.2 m -110.26 149.39 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -26.13 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.781 HG12 HG22 ' A' ' 108' ' ' THR . 7.5 p -75.84 -42.55 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.792 ' O ' HD11 ' A' ' 133' ' ' ILE . 51.9 mt-30 -71.82 -56.35 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -51.37 -29.94 17.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 112' ' ' ARG . 8.3 ttt-85 -66.2 -42.34 88.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.531 ' HB ' HD11 ' A' ' 133' ' ' ILE . 25.4 m -65.25 -58.86 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.89 ' CD2' HG22 ' A' ' 144' ' ' VAL . 6.1 tp -58.22 -43.86 87.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.585 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 43.0 t60 -45.54 -39.94 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.593 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.73 -35.88 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -56.79 -25.98 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.546 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 5.8 t80 -50.75 -19.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.41 62.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.742 ' CB ' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -134.76 -75.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 163.08 -28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.869 ' HB3' HD13 ' A' ' 129' ' ' LEU . 8.0 mttp -92.25 28.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 12.0 mtm180 -46.14 -49.28 41.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.02 -91.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.541 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.9 m 27.98 80.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -39.69 -37.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.92 -58.02 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.947 HD11 HG13 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -41.13 -56.32 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.661 ' CG ' ' CZ ' ' A' ' 148' ' ' PHE . 10.4 mt-30 -43.39 -44.41 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.08 -26.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 129' ' ' LEU . 22.5 m -61.46 -49.71 75.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.792 HD11 ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -65.42 -52.17 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -52.97 -59.02 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -12.44 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.851 ' HB3' HD22 ' A' ' 137' ' ' LEU . 1.4 tt0 -64.72 -60.55 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.6 OUTLIER -112.93 12.77 19.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -156.18 -138.2 2.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -176.65 35.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 134' ' ' SER . 0.1 OUTLIER -160.05 152.19 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.89 -3.49 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.4 p -39.46 -50.95 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.675 HG21 ' HB3' ' A' ' 111' ' ' GLN . 4.3 t -70.3 -51.09 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.89 HG22 ' CD2' ' A' ' 115' ' ' LEU . 28.9 t -39.54 -49.09 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.74 -44.54 96.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' THR . 4.8 t30 -43.99 -45.92 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.595 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -84.99 -71.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.661 ' CZ ' ' CG ' ' A' ' 130' ' ' GLN . 9.6 m-85 -36.76 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -88.68 -44.28 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 147' ' ' PHE . 26.1 t30 -69.64 -49.43 53.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.591 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -75.57 -60.75 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.82 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.0 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 59.96 106.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.681 HG23 ' HZ ' ' A' ' 62' ' ' PHE . 1.4 m -65.15 -59.77 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -41.26 74.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -76.87 -21.22 55.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.975 HG11 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -67.79 -66.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.656 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -45.87 -49.61 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.82 -29.06 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.602 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.76 -59.32 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.912 HG21 ' SD ' ' A' ' 65' ' ' MET . 3.1 mt -57.03 -17.08 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.4 m -82.94 -49.65 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 m -90.23 -4.72 57.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' ARG . 6.4 mm-40 -91.36 -47.15 7.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.826 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.4 mp -63.23 -89.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 16.0 tttp -89.82 -57.39 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 163.45 -27.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.886 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER 174.3 36.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 162.87 75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.826 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -70.52 140.7 87.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.98 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.607 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -43.03 -26.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -60.84 -44.24 97.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -75.19 -50.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -63.62 -9.81 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.68 -34.43 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -92.61 -14.88 27.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' NE ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.12 -84.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 35' ' ' LEU . 4.5 m -123.29 -52.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 22.9 mt -71.79 172.42 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.574 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 17.3 p -100.94 -35.8 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.72 89.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.2 m -162.79 142.18 9.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.561 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.0 pt20 -130.01 76.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.85 23.03 70.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -42.35 -39.8 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.914 HD23 ' CG1' ' A' ' 12' ' ' VAL . 2.6 tp -36.36 -40.25 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.646 ' CB ' ' HB1' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -70.5 -52.7 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' THR . 1.1 t70 -50.49 -55.93 13.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.839 HD13 HD21 ' A' ' 55' ' ' LEU . 4.4 pp -62.76 -22.71 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.693 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 20.7 mt -87.64 1.5 53.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -35.52 -41.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' LEU . 6.1 p30 -75.29 142.65 75.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.7 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.35 104.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.31 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.8 m0 61.92 51.32 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' LYS . 22.6 t -89.46 -41.83 11.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 38.24 39.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 45' ' ' LEU . 17.6 mt 39.77 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.43 -30.83 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.2 m -60.46 -52.61 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -140.6 81.02 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -24.12 48.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.78 -37.73 68.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 m -58.67 -64.38 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.975 ' CE2' HG11 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -44.19 -36.81 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 66' ' ' TRP . 6.4 mtp180 -64.42 -52.1 59.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.546 ' HB3' HD21 ' A' ' 35' ' ' LEU . 77.5 mtt-85 -42.08 -39.03 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.912 ' SD ' HG21 ' A' ' 16' ' ' ILE . 5.0 mmt -65.0 -61.0 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 63' ' ' ARG . 1.9 m0 -42.85 -42.05 3.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' GLU . 3.1 mttt -47.11 -60.55 2.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.2 t90 -44.41 -57.49 3.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.643 HD21 HG23 ' A' ' 16' ' ' ILE . 5.0 mt -44.2 -44.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -77.44 -76.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' OE2' ' NE ' ' A' ' 33' ' ' ARG . 81.8 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.512 0.196 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.781 HG21 ' OE1' ' A' ' 111' ' ' GLN . 39.3 m -111.48 141.35 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 -27.93 34.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.427 ' H ' HG22 ' A' ' 108' ' ' THR . 40.5 t -69.41 -42.72 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.781 ' OE1' HG21 ' A' ' 108' ' ' THR . 0.8 OUTLIER -73.0 -58.12 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -46.25 -26.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -75.05 -43.37 53.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.52 ' HB ' HD11 ' A' ' 133' ' ' ILE . 63.2 m -64.13 -59.46 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.428 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.85 HD13 HG21 ' A' ' 133' ' ' ILE . 5.0 tp -56.49 -45.53 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 9.8 t-80 -45.32 -39.0 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.14 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.98 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -60.87 -18.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.557 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 8.1 t80 -53.14 -19.06 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.78 68.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.864 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -135.38 -79.87 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 176.59 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.948 ' HB3' HD13 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -89.45 23.21 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.513 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 1.9 mtm180 -35.42 -55.48 1.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.93 -91.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 30.59 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.919 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -50.58 -29.3 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.96 -27.27 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.98 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -75.11 -50.12 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.545 ' N ' HD23 ' A' ' 129' ' ' LEU . 2.2 pt20 -52.91 -32.69 46.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.919 HD12 ' O ' ' A' ' 127' ' ' LYS . 7.0 mt -85.4 -22.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 129' ' ' LEU . 6.9 m -68.56 -47.0 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.85 HG21 HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.33 -47.41 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 139' ' ' LEU . 0.8 OUTLIER -62.85 -36.16 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.441 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 1.0 OUTLIER -82.49 -10.83 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -73.72 -50.56 20.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.402 ' O ' ' CD ' ' A' ' 111' ' ' GLN . 0.7 OUTLIER -127.02 31.02 5.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -165.12 -120.52 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.8 OUTLIER 168.46 -37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.4 ' HG2' HD12 ' A' ' 139' ' ' LEU . 23.2 mm-40 -81.04 172.27 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -94.81 0.47 54.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.25 -60.04 3.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.663 HG21 ' NE2' ' A' ' 111' ' ' GLN . 56.0 p -44.83 -54.08 6.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' A' ' 115' ' ' LEU . 77.8 t -40.87 -48.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.9 -43.02 95.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 34.1 t-20 -40.13 -46.24 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.62 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.08 -66.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.62 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 9.9 m-85 -36.71 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.0 tmm? -85.16 -52.54 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.47 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.586 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -80.14 -65.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 1.4 mp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER 81.65 169.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.468 HG21 ' N ' ' A' ' 52' ' ' TRP . 4.7 t -102.01 -37.59 8.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -42.55 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -26.87 68.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG21 ' HE1' ' A' ' 66' ' ' TRP . 10.1 p -65.18 -59.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -43.12 -49.28 6.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -53.93 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -46.27 -43.62 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.591 HD11 HG22 ' A' ' 12' ' ' VAL . 7.2 mt -54.51 -44.26 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.7 m -73.01 -54.59 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 85.0 m -61.3 -20.73 63.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.616 ' OE1' HD13 ' A' ' 69' ' ' LEU . 21.6 tt0 -89.17 -50.54 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HB3' HD13 ' A' ' 25' ' ' ILE . 4.1 mp -56.12 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -62.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 167.87 -27.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.28 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.765 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER 175.27 36.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER 163.99 76.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.772 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -66.29 140.21 96.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.642 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.04 92.57 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.89 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -51.42 -51.74 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.5 mp -75.34 -51.39 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.73 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -51.14 -18.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -91.12 -35.86 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -84.54 -5.85 59.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -91.44 -77.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.31 -61.37 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 30' ' ' PHE . 27.0 mt -58.66 172.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.809 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -100.2 -43.0 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -170.26 94.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.488 ' OG ' HD13 ' A' ' 35' ' ' LEU . 4.6 p -170.96 136.19 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.47 ' OE1' ' N ' ' A' ' 39' ' ' GLN . 14.9 pm0 -115.59 59.34 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.6 35.43 4.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.486 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -48.51 -27.46 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.409 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.846 HD21 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -56.4 -53.75 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.563 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -66.14 -43.47 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -53.82 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 55' ' ' LEU . 4.1 pp -61.39 -26.16 67.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.781 HD11 ' HE1' ' A' ' 62' ' ' PHE . 28.4 mt -84.63 2.39 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 11.9 ptt180 -37.55 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LEU . 8.6 p30 -89.13 145.75 34.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 119.73 5.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -155.73 105.62 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.57 13.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.468 ' N ' HG21 ' A' ' 9' ' ' THR . 9.9 m0 51.11 64.05 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -89.71 -44.54 9.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.39 43.22 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER 43.77 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.21 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -60.19 3.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.68 99.77 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.69 -31.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.88 -41.41 11.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.542 HG22 HD12 ' A' ' 42' ' ' LEU . 3.5 m -58.3 -60.0 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.846 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -42.21 -30.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 110.95 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -46.38 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HB3' HD21 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.87 -33.1 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.755 ' HG2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -73.11 -58.12 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.66 ' HE1' HG21 ' A' ' 12' ' ' VAL . 3.2 m0 -51.06 -27.77 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.8 mmmt -60.28 -58.96 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 1.4 t90 -47.95 -51.32 24.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.616 HD13 ' OE1' ' A' ' 19' ' ' GLU . 1.7 mt -51.37 -48.27 62.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -49.84 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.534 0.207 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' A' ' 111' ' ' GLN . 2.5 m -114.88 157.04 23.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -79.08 -52.3 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.618 HG12 ' HG ' ' A' ' 137' ' ' LEU . 86.7 t -60.75 -43.61 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.831 ' O ' HD11 ' A' ' 133' ' ' ILE . 11.3 tm0? -59.34 -61.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -58.77 -24.08 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -71.8 -34.23 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.583 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 51.9 m -73.77 -58.9 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.01 HD13 HG21 ' A' ' 133' ' ' ILE . 2.2 tp -56.81 -39.46 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.579 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 65.1 t60 -58.74 -33.57 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.39 -20.59 36.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.615 HG22 ' HG3' ' A' ' 124' ' ' ARG . 1.8 mm -67.27 -51.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.582 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 4.8 t80 -36.88 -34.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 21.5 mmtt -55.58 -65.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.2 OUTLIER 165.6 106.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -162.76 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.456 ' H ' HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -140.41 22.42 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.615 ' HG3' HG22 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -47.87 -48.94 60.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.05 66.23 6.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.4 m -167.64 106.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.541 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -57.25 -36.68 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.81 -42.45 94.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.853 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -53.82 -52.25 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.853 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.5 OUTLIER -46.12 -42.94 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 127' ' ' LYS . 3.8 mt -80.03 -24.0 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' LEU . 63.1 m -66.77 -46.08 76.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 1.01 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -67.36 -36.39 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 138' ' ' GLY . 7.9 p -69.74 -39.77 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.419 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 4.6 tm0? -82.38 -11.52 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.46 ' OE1' ' CD2' ' A' ' 137' ' ' LEU . 10.5 tt0 -83.23 -28.98 28.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.618 ' HG ' HG12 ' A' ' 110' ' ' VAL . 2.2 mm? -127.59 7.1 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -170.29 -119.36 0.5 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.505 HD12 ' OE1' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -179.85 -40.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.505 ' OE1' HD12 ' A' ' 139' ' ' LEU . 0.5 OUTLIER -77.34 152.54 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 0.17 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.33 -52.1 55.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 146' ' ' ASN . 44.3 p -57.3 -51.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.746 HG11 ' CG ' ' A' ' 130' ' ' GLN . 65.4 t -40.08 -48.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 146' ' ' ASN . 0.3 OUTLIER -57.87 -46.63 84.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 143' ' ' THR . 21.0 t-20 -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.642 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -89.12 -72.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.64 ' CD1' HG13 ' A' ' 144' ' ' VAL . 7.5 m-85 -30.46 -40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -78.03 -51.86 9.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' PHE . 31.6 t30 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.642 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -64.43 -65.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 148' ' ' PHE . 17.0 ttt-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.889 HG23 HG21 ' A' ' 12' ' ' VAL . 3.0 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -169.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 10' ' ' LYS . 10.1 t -100.29 -55.02 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.533 ' N ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -96.93 -24.71 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -76.38 -25.27 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.889 HG21 HG23 ' A' ' 7' ' ' ILE . 7.2 p -78.0 -54.6 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.566 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -44.36 -54.11 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -48.8 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -50.89 -42.09 58.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.946 HG21 ' SD ' ' A' ' 65' ' ' MET . 4.4 mt -53.64 -44.02 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 23' ' ' TYR . 16.3 m -74.52 -54.08 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.32 -22.27 60.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 5.3 mm-40 -90.52 -45.47 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.808 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.6 mp -53.29 -88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -86.74 -57.77 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 5.6 ptm180 163.71 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 172.51 37.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.7 m 162.79 75.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.808 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -68.97 140.66 91.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.577 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.01 97.02 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -37.91 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -55.35 -51.41 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.481 HD12 ' N ' ' A' ' 29' ' ' ILE . 2.1 mp -71.63 -42.49 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -66.22 -6.67 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -90.73 -45.44 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -90.77 0.05 57.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' NH1' ' CZ2' ' A' ' 68' ' ' TRP . 18.7 mmm-85 -90.43 -76.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.886 HG13 ' H ' ' A' ' 35' ' ' LEU . 2.1 p -125.4 -73.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.886 ' H ' HG13 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -59.63 162.37 5.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 85.5 m -70.05 -52.43 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.61 99.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.4 ' HB2' ' HB ' ' A' ' 41' ' ' THR . 1.0 OUTLIER -170.74 149.61 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.27 72.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 38' ' ' SER . 0.7 OUTLIER -45.22 -37.07 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.407 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 61' ' ' THR . 0.2 OUTLIER -42.07 -54.07 3.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.47 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -60.57 -40.87 93.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.12 -59.08 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 55' ' ' LEU . 4.3 pp -61.6 -24.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.693 HD11 ' CE1' ' A' ' 62' ' ' PHE . 1.9 mt -81.38 0.66 36.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' LEU . 13.3 ttm180 -36.58 -44.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -73.03 143.14 83.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' O ' HG21 ' A' ' 9' ' ' THR . 4.9 mmtt -144.99 107.26 4.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.9 m0 47.57 49.41 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -46.34 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 66.96 37.01 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.821 HD12 ' HD1' ' A' ' 62' ' ' PHE . 1.2 mt 37.38 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -34.41 71.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 m -96.9 58.05 1.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.51 47.24 0.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -50.55 -30.61 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.31 -39.28 69.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.904 HG22 HD12 ' A' ' 42' ' ' LEU . 3.3 m -56.18 -62.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.863 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -39.63 -44.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 9.4 ttm180 -68.89 -50.59 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.475 ' HB3' HD11 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.34 -55.87 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.946 ' SD ' HG21 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -50.69 -50.89 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.783 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 17.7 m0 -48.89 -37.96 21.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -51.09 -52.42 43.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CZ2' ' NH1' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -45.71 -50.88 13.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 107.975 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 16' ' ' ILE . 12.3 mt -68.58 -29.77 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -74.95 1.88 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.491 0.186 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -106.38 156.47 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.0 p-10 -78.11 -51.75 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.455 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 38.2 t -55.17 -50.14 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.607 ' O ' HD11 ' A' ' 133' ' ' ILE . 44.8 mt-30 -59.47 -61.55 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.4 ttt180 -52.95 -25.57 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -72.27 -33.25 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.515 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 36.5 m -71.83 -60.04 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.465 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.765 HD13 HG21 ' A' ' 133' ' ' ILE . 4.0 tp -57.74 -43.42 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.607 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 5.3 t-80 -50.86 -39.05 52.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.16 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.991 HG12 HD11 ' A' ' 129' ' ' LEU . 0.7 OUTLIER -68.58 -35.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.577 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 1.1 t80 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -77.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 178.45 102.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -154.16 -70.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.939 ' HB3' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -145.96 23.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.532 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -31.4 -56.57 0.41 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.02 66.79 6.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 51.4 m -155.22 98.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.817 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -63.36 -26.3 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -72.27 -43.52 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.991 HD11 HG12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.44 -53.03 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.736 ' N ' HD23 ' A' ' 129' ' ' LEU . 2.4 pt20 -45.8 -40.29 9.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.817 HD12 ' O ' ' A' ' 127' ' ' LYS . 4.5 mt -80.23 -27.01 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.461 HG22 ' NE2' ' A' ' 136' ' ' GLN . 86.6 m -67.96 -38.28 82.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.765 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.73 -42.26 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.48 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 0.0 OUTLIER -64.55 -48.62 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -74.27 -19.24 60.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.461 ' NE2' HG22 ' A' ' 132' ' ' THR . 5.5 mt-30 -61.12 -56.39 21.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -111.33 13.68 21.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -156.85 -139.64 2.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 139' ' ' LEU . 0.4 OUTLIER -175.59 35.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 134' ' ' SER . 8.9 tp10 -157.46 148.33 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.62 -0.27 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -51.21 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 134' ' ' SER . 3.1 t -64.24 -46.07 85.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 130' ' ' GLN . 69.6 t -42.38 -47.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -64.92 -38.29 90.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 143' ' ' THR . 20.2 t-20 -42.02 -45.53 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.607 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -89.65 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.489 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 5.5 m-85 -38.33 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 147' ' ' PHE . 11.2 tmm? -85.47 -54.27 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.598 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -83.36 -60.82 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ARG . . . . . 0.401 ' CA ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.603 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 7.1 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 13.6 m120 66.07 138.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.573 HG21 ' HA ' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -100.91 -42.18 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.4 -33.95 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -72.04 -21.92 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.748 HG21 ' NE1' ' A' ' 66' ' ' TRP . 9.9 p -75.86 -49.59 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB1' ' N ' ' A' ' 43' ' ' SER . . . -53.12 -64.18 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -54.8 -25.7 29.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.575 ' O ' ' N ' ' A' ' 19' ' ' GLU . 3.4 mtp180 -71.91 -60.48 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.785 HG21 ' SD ' ' A' ' 65' ' ' MET . 5.9 mt -38.72 -32.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 15' ' ' ARG . 18.5 m -72.68 -50.92 21.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' ARG . 18.4 m -84.09 0.41 48.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.575 ' N ' ' O ' ' A' ' 15' ' ' ARG . 3.4 mm-40 -91.72 -58.05 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.132 HD23 HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -57.21 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 9.7 tttp -85.02 -68.71 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 163.04 -29.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.5 m-85 178.41 35.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -174.56 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.132 HD13 HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.28 125.23 74.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.799 ' HG2' HD12 ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.05 87.9 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.76 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -62.62 -53.11 59.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.799 HD12 ' HG2' ' A' ' 26' ' ' PRO . 47.2 mt -58.18 -54.59 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -61.96 -12.87 20.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -89.61 -35.62 15.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -91.73 -6.14 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -90.07 -81.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -121.77 -63.02 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.58 HD12 ' CG ' ' A' ' 30' ' ' PHE . 25.4 mt -59.34 167.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 14.3 t -90.22 -49.7 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.19 100.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 p -170.3 126.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.643 ' HB2' HG23 ' A' ' 25' ' ' ILE . 12.1 pt20 -106.74 52.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 118.2 31.65 1.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.581 1.176 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.643 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.1 -28.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.383 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.75 HD12 ' CD1' ' A' ' 16' ' ' ILE . 8.6 mt -62.9 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 3.2 m -53.69 -34.65 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 41' ' ' THR . 35.5 t0 -55.2 -60.14 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -20.75 63.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' ASN . 5.3 mp -90.77 2.99 55.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.59 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' LEU . 16.5 p30 -75.18 129.18 83.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.39 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -146.86 128.77 7.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.573 ' HA ' HG21 ' A' ' 9' ' ' THR . 1.4 m-90 80.33 59.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.52 ' H ' HG21 ' A' ' 9' ' ' THR . 12.5 t -45.6 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.53 36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm? -89.67 43.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -100.06 -52.41 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -49.53 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.71 46.31 1.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' THR . 0.3 OUTLIER -60.36 -14.33 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -35.89 -35.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 62' ' ' PHE . 8.4 t -77.4 -53.82 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.67 ' HD1' HD22 ' A' ' 42' ' ' LEU . 1.2 m-30 -53.07 -38.81 62.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.163 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -71.72 -56.41 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -47.18 -30.35 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.785 ' SD ' HG21 ' A' ' 16' ' ' ILE . 1.3 mmt -73.57 -56.52 4.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.748 ' NE1' HG21 ' A' ' 12' ' ' VAL . 2.5 m0 -57.3 -23.82 51.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -52.59 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.706 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -48.56 -57.24 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.6 mt -47.79 -47.77 30.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.2 -72.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' A' ' 142' ' ' SER . 7.1 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.508 0.194 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.415 ' CB ' ' OE1' ' A' ' 111' ' ' GLN . 8.1 m -110.4 165.88 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.4 p-10 -84.12 -51.99 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.447 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 73.2 t -56.75 -48.29 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.608 ' O ' HD11 ' A' ' 133' ' ' ILE . 25.1 mt-30 -58.56 -62.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -54.33 -20.65 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -72.43 -41.86 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.66 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 12.0 m -65.3 -58.96 4.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.78 ' O ' HG22 ' A' ' 118' ' ' ILE . 2.5 tp -56.22 -52.56 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.525 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 73.4 t60 -49.62 -26.04 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -72.52 -35.17 68.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.78 HG22 ' O ' ' A' ' 115' ' ' LEU . 5.1 tp -77.24 -20.61 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.772 ' CE2' ' HB1' ' A' ' 151' ' ' ALA . 1.5 t80 -36.54 -40.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 57.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.696 ' HB3' HD12 ' A' ' 118' ' ' ILE . 7.9 tp10 -123.0 -85.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 42.2 t30 174.58 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.696 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -177.93 42.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.7 ' HA ' HG23 ' A' ' 118' ' ' ILE . 1.3 mtm105 -66.95 -43.19 46.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.95 -93.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.2 m 31.19 85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.887 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -51.76 -30.06 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -23.4 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.778 ' C ' HD23 ' A' ' 129' ' ' LEU . 1.2 tt -83.66 -57.39 3.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.606 ' N ' HD23 ' A' ' 129' ' ' LEU . 10.8 pt20 -43.73 -35.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.887 HD12 ' O ' ' A' ' 127' ' ' LYS . 5.9 mt -81.3 -34.26 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 4.4 m -57.34 -53.87 53.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.703 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.87 -56.89 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.559 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -51.52 -36.97 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -77.7 -23.43 49.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.949 ' C ' HD13 ' A' ' 137' ' ' LEU . 2.5 tt0 -58.78 -50.17 74.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.949 HD13 ' C ' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -123.87 26.76 7.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.649 ' C ' HD23 ' A' ' 139' ' ' LEU . . . -175.44 -125.47 0.87 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.649 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER 175.16 -35.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.254 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.34 150.75 41.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 141' ' ' LEU . 0.9 OUTLIER -78.61 0.53 26.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -51.96 -49.58 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 0.6 OUTLIER -57.64 -50.42 73.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 148' ' ' PHE . 54.8 t -41.75 -52.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.71 -39.36 70.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 143' ' ' THR . 0.2 OUTLIER -43.75 -48.79 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.06 -67.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.777 ' CD1' HG13 ' A' ' 144' ' ' VAL . 9.0 m-85 -34.71 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -83.64 -49.36 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 147' ' ' PHE . 63.5 m-20 -62.38 -47.44 84.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.772 ' HB1' ' CE2' ' A' ' 119' ' ' PHE . . . -78.45 -69.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.612 HG21 ' CE2' ' A' ' 66' ' ' TRP . 2.3 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.456 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 6.0 m-20 -58.14 106.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.647 ' HB ' ' CE2' ' A' ' 62' ' ' PHE . 30.9 p -54.73 -34.43 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.456 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -71.69 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 5.0 mm-40 -59.41 -57.54 12.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.588 HG21 ' NE1' ' A' ' 66' ' ' TRP . 3.8 p -40.58 -38.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -54.91 -67.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 0.6 OUTLIER -65.94 -19.8 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.7 -42.23 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.673 HD13 HD12 ' A' ' 42' ' ' LEU . 5.5 mt -59.75 -45.98 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.4 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -74.22 -19.46 60.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -90.99 -24.9 19.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -85.37 -53.42 5.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.791 ' HB3' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -43.42 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -90.24 -60.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER 167.08 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 168.51 37.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.0 63.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.791 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -69.66 139.76 88.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.546 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.96 92.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.705 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 4.0 mp0 -40.58 -27.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.72 -49.58 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.1 mp -77.38 -41.24 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -70.74 -4.15 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -92.33 -48.29 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.04 -8.98 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.47 -72.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.455 HG22 ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -123.98 -57.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.695 HD23 ' CB ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -121.6 167.29 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.36 -37.88 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.942 ' HB3' HG21 ' A' ' 41' ' ' THR . 2.2 mmp_? -59.52 145.58 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 11.6 m -164.94 -177.95 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.953 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER 66.91 47.2 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 45.73 35.34 5.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.942 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -41.1 -26.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.726 HD13 ' CD1' ' A' ' 62' ' ' PHE . 13.5 mt -63.23 -50.41 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -20.97 66.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.92 -44.9 37.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.588 HD12 ' HG ' ' A' ' 55' ' ' LEU . 1.3 tm? -78.8 -19.03 53.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.708 ' CD1' HD12 ' A' ' 55' ' ' LEU . 6.0 mp -90.09 0.29 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.33 -59.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.6 p30 -60.33 159.25 23.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -152.67 89.92 3.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.19 13.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.7 m0 68.17 37.69 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 t -64.84 -43.19 93.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 70.9 25.28 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.708 HD12 ' CD1' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 38.99 78.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -46.9 -29.78 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.589 ' HB2' HD23 ' A' ' 55' ' ' LEU . 6.9 m -53.39 -39.85 64.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 99.84 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.41 -26.99 68.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -33.46 75.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.478 HG22 HD21 ' A' ' 42' ' ' LEU . 22.9 m -58.29 -66.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.726 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -40.8 -42.75 1.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 111.005 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 22.0 ttt180 -65.2 -46.84 79.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.695 ' CB ' HD23 ' A' ' 35' ' ' LEU . 6.3 mmt85 -50.47 -50.03 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' TRP . 1.9 mpt? -53.29 -60.15 3.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.612 ' CE2' HG21 ' A' ' 7' ' ' ILE . 4.0 m0 -44.79 -27.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -65.71 -46.58 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.522 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -45.87 -51.19 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' HG23 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -75.24 -30.8 60.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 32.4 tt0 -55.01 -39.69 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 70' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.455 0.169 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.458 ' CB ' ' NE2' ' A' ' 111' ' ' GLN . 19.5 m -110.23 171.16 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.423 ' H ' HG22 ' A' ' 108' ' ' THR . 8.4 t0 -88.06 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.6 t -57.43 -51.14 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.506 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 7.0 mt-30 -58.82 -60.95 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -52.77 -20.8 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -85.9 -25.5 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.526 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 61.0 m -77.78 -59.67 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.067 ' CD2' HG13 ' A' ' 144' ' ' VAL . 7.2 tp -59.69 -40.36 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.55 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 57.4 t60 -51.87 -49.9 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.02 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.996 HG13 HD11 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -68.28 -27.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.594 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -49.35 -23.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -73.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 168.86 107.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.5 -60.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 1.012 ' O ' HD22 ' A' ' 129' ' ' LEU . 2.1 mtmt -149.53 29.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.49 ' HA ' ' CG2' ' A' ' 118' ' ' ILE . 0.8 OUTLIER -34.1 -53.71 0.88 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.0 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.578 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.3 m 24.11 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.7 OUTLIER -38.36 -31.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -66.34 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 1.012 HD22 ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -41.76 -53.64 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.634 ' HB3' HG11 ' A' ' 144' ' ' VAL . 76.7 mt-30 -42.57 -49.91 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.2 mm -77.52 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 129' ' ' LEU . 8.5 m -66.0 -46.47 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -68.99 -41.6 81.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.27 -42.51 93.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 139' ' ' LEU . 6.2 tm0? -79.05 -16.85 56.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.5 ' HB3' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -68.31 -38.22 81.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 2.9 mm? -113.28 -33.39 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -132.48 -110.8 1.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -179.34 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.61 138.95 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.9 pp -72.71 -4.15 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.3 -50.73 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 146' ' ' ASN . 14.3 t -69.04 -45.69 69.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 1.067 HG13 ' CD2' ' A' ' 115' ' ' LEU . 78.9 t -43.55 -35.9 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -39.89 56.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -40.56 -39.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -83.53 -68.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.634 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 11.5 m-85 -41.5 -26.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 147' ' ' PHE . 22.6 tpp -77.83 -54.51 6.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -68.47 -52.17 35.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' A' ' 119' ' ' PHE . . . -69.9 -82.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.88 HG23 HG21 ' A' ' 12' ' ' VAL . 1.7 mp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 2.5 m120 -91.93 -170.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 1.6 m -100.61 -58.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -32.39 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.9 67.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.88 HG21 HG23 ' A' ' 7' ' ' ILE . 2.6 p -73.98 -50.24 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -47.49 -58.38 4.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -26.84 64.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.78 -59.19 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.048 HD13 HD12 ' A' ' 42' ' ' LEU . 3.7 mt -38.66 -36.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.703 ' HA ' HD11 ' A' ' 25' ' ' ILE . 1.1 m -67.36 -51.02 57.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' ARG . 50.6 m -83.23 0.09 47.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -90.9 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.728 HD21 ' CE1' ' A' ' 30' ' ' PHE . 3.9 mp -53.66 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -90.75 -70.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.565 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 168.71 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.8 m-85 177.7 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.5 m -161.9 64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 17' ' ' THR . 47.6 mm -57.58 119.08 29.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 18.3 Cg_endo -74.97 84.94 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -37.82 -32.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.43 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' GLN . 2.1 mp -67.86 -50.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CE1' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -52.48 -27.6 16.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -91.83 -17.92 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -88.79 -7.8 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.424 ' HG3' ' NE1' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -91.03 -80.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -48.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.571 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -60.15 161.75 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 68.2 m -100.48 -36.1 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -171.78 96.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.555 ' HB2' HG22 ' A' ' 41' ' ' THR . 11.9 p -170.45 169.4 7.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -156.55 60.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.82 9.41 40.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.704 ' OG1' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -40.33 -32.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.048 HD12 HD13 ' A' ' 16' ' ' ILE . 13.4 mt -37.38 -46.51 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' ARG . 32.3 t -75.65 -42.13 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 56.3 m-20 -53.35 -58.3 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.043 HD11 HD21 ' A' ' 55' ' ' LEU . 2.0 pp -62.08 -25.38 67.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.691 HD12 ' O ' ' A' ' 42' ' ' LEU . 42.7 mt -90.74 1.71 56.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -41.1 -32.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -72.42 154.04 91.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 93.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.86 86.98 8.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 16.9 m0 55.77 60.64 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 108.017 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.2 t -89.91 -48.25 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 83.68 36.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 40.22 73.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -45.97 -41.51 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.93 -53.7 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -173.24 105.39 0.21 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -25.97 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -45.56 -47.75 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.5 HG22 HD21 ' A' ' 42' ' ' LEU . 2.1 m -50.61 -58.1 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -50.13 -38.77 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -67.01 -38.28 85.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.11 -60.57 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.721 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -55.27 -58.25 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 18.7 m0 -45.92 -55.53 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 18.6 mttt -40.76 -37.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CE3' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -58.89 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.818 HD21 HG12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.59 -6.95 28.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -78.13 -38.76 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.691 ' N ' ' HG ' ' A' ' 142' ' ' SER . 96.5 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.552 0.215 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -107.3 161.06 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.2 OUTLIER -86.83 -46.9 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.48 HG12 HD21 ' A' ' 137' ' ' LEU . 69.4 t -59.71 -48.27 88.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.613 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.2 tt0 -61.19 -61.52 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -56.46 -24.49 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 44.0 ttt180 -72.05 -32.72 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.566 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 54.4 m -68.77 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 133' ' ' ILE . 7.6 tp -57.69 -36.27 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.621 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 42.0 t60 -52.42 -41.79 63.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.31 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.974 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -65.23 -33.89 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.612 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.9 t80 -43.44 -25.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.38 -70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER 160.0 110.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.52 -69.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.96 ' O ' HD22 ' A' ' 129' ' ' LEU . 1.1 mttt -145.57 40.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.9 OUTLIER -39.27 -51.08 4.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.557 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.05 -91.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.557 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.0 m 25.29 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.606 ' O ' HD12 ' A' ' 131' ' ' ILE . 1.7 mmtt -45.33 -25.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 126' ' ' SER . 2.5 tp10 -74.01 -42.51 60.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.974 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -64.01 -62.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.703 ' N ' HD23 ' A' ' 129' ' ' LEU . 6.1 pt20 -41.77 -35.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 127' ' ' LYS . 58.7 mt -80.44 -39.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 129' ' ' LEU . 21.2 m -48.49 -57.49 6.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.686 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -57.96 -55.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -50.11 -24.73 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -90.96 -24.42 20.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.79 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 110' ' ' VAL . 4.5 mm? -70.65 -12.45 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.871 ' C ' HD22 ' A' ' 139' ' ' LEU . . . 70.35 63.62 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.871 HD22 ' C ' ' A' ' 138' ' ' GLY . 3.9 mm? -133.69 -98.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.556 ' OE1' HD23 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -178.66 -170.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.556 HD23 ' OE1' ' A' ' 140' ' ' GLU . 2.7 pp -47.54 -20.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.691 ' HG ' ' N ' ' A' ' 107' ' ' PHE . 3.5 t -32.5 -53.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.504 ' CB ' ' HG2' ' A' ' 111' ' ' GLN . 5.9 t -64.49 -52.05 59.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.629 HG13 ' CE2' ' A' ' 148' ' ' PHE . 95.5 t -44.05 -60.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.3 OUTLIER -59.52 -47.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 112' ' ' ARG . 52.1 t-20 -45.26 -51.88 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.621 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.6 t80 -78.17 -72.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.629 ' CE2' HG13 ' A' ' 144' ' ' VAL . 7.8 m-30 -33.07 -37.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.513 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.5 ttm -82.56 -52.22 7.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -59.15 -47.08 86.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.588 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.23 -73.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.648 ' CG2' ' CZ2' ' A' ' 66' ' ' TRP . 4.3 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 2.2 m-20 66.65 140.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.715 HG23 HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -103.43 -45.69 4.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -96.16 -43.8 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -65.51 -24.02 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 13' ' ' ALA . 4.9 p -75.4 -52.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . . . -48.07 -56.48 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -62.01 -22.84 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -72.78 -47.9 42.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.661 HD13 ' HB3' ' A' ' 65' ' ' MET . 2.9 mt -63.83 -16.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -91.03 -39.52 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.412 ' HA ' ' C ' ' A' ' 22' ' ' ARG . 32.9 m -90.76 -12.14 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.722 ' CB ' HD11 ' A' ' 69' ' ' LEU . 7.5 mm-40 -91.08 -57.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.841 ' HB3' HD13 ' A' ' 25' ' ' ILE . 2.7 mp -41.04 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.2 tttt -87.06 -54.57 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER 156.75 -23.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.3 OUTLIER 170.48 37.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 161.35 74.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -70.33 138.06 86.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.593 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.04 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.663 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -40.08 -28.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.84 -47.8 83.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -67.07 -51.15 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -67.83 -4.94 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.17 -52.09 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -5.05 59.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.551 ' HE ' HG23 ' A' ' 34' ' ' VAL . 4.9 tpm_? -90.53 -77.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.887 HG11 ' O ' ' A' ' 64' ' ' ARG . 9.3 t -120.24 -78.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.674 HD11 ' HE3' ' A' ' 65' ' ' MET . 9.6 mt -60.09 176.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.0 m -96.75 -41.41 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.07 98.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 m -170.13 152.74 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.78 71.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 84.64 25.91 40.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.98 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 0.787 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.553 HD12 HD13 ' A' ' 16' ' ' ILE . 10.7 mt -48.91 -61.49 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -55.06 -44.2 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.499 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 57.5 m-20 -52.8 -56.7 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.95 HD13 HD11 ' A' ' 55' ' ' LEU . 4.0 pp -68.94 -20.8 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 9' ' ' THR . 0.4 OUTLIER -91.31 2.49 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -38.34 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.24 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.4 p30 -82.78 145.7 50.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 99.09 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -141.23 84.91 12.35 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.81 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.3 m0 67.14 43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.488 ' H ' HG21 ' A' ' 9' ' ' THR . 0.3 OUTLIER -83.59 -56.06 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 82.23 33.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.95 HD11 HD13 ' A' ' 45' ' ' LEU . 2.4 mm? 39.18 79.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -24.65 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -57.59 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.072 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 99.74 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -28.44 15.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 0.783 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -48.94 -44.62 40.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 m -52.79 -58.76 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.759 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.63 -39.82 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' ARG . 1.1 mtm180 -64.77 -58.02 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.887 ' O ' HG11 ' A' ' 34' ' ' VAL . 1.4 ttm180 -35.34 -40.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.674 ' HE3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -73.68 -51.11 17.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.648 ' CZ2' ' CG2' ' A' ' 7' ' ' ILE . 13.3 m0 -54.17 -27.13 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.2 mtpt -63.13 -62.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.709 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.9 t90 -42.34 -48.27 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 19' ' ' GLU . 2.3 tp -62.65 -60.29 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.476 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -44.17 -52.04 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 70' ' ' GLN . 34.7 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.731 ' CZ ' ' ND2' ' A' ' 146' ' ' ASN . 2.9 t80 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.516 0.198 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 151.99 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.13 -27.53 21.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.73 -46.27 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.756 ' HA ' HD11 ' A' ' 133' ' ' ILE . 6.0 mp0 -69.59 -59.29 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.714 HH21 ' HG2' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -49.65 -22.61 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.714 ' HG2' HH21 ' A' ' 112' ' ' ARG . 9.6 mtt180 -77.31 -43.88 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.46 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 63.1 m -63.67 -60.42 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.077 HD13 HG21 ' A' ' 133' ' ' ILE . 6.9 tp -55.37 -41.84 73.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.635 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 35.5 t60 -50.87 -34.09 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.14 -25.1 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.97 HG13 HD11 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -69.48 -24.9 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 151' ' ' ALA . 2.7 t80 -49.1 -19.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 69.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.621 ' CB ' HD13 ' A' ' 118' ' ' ILE . 1.6 tt0 -134.89 -76.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -178.23 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.735 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.6 OUTLIER -90.08 22.66 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.556 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 2.7 mtm180 -29.74 -57.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.556 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.01 -92.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 125' ' ' PRO . 35.3 m 32.41 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.42 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.7 OUTLIER -48.51 -44.29 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -49.94 75.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.97 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -46.13 -51.25 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.769 ' HG3' HG21 ' A' ' 144' ' ' VAL . 0.3 OUTLIER -46.64 -41.93 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.422 ' N ' ' HG2' ' A' ' 130' ' ' GLN . 3.1 mt -80.07 -23.33 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' LEU . 95.9 m -66.69 -47.12 73.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -71.69 -45.2 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.476 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 1.0 OUTLIER -57.59 -37.32 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.95 -21.3 26.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.645 ' C ' HD13 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -54.84 -48.99 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 136' ' ' GLN . 0.7 OUTLIER -116.98 -12.1 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -132.13 -132.0 3.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.499 HD12 ' OE1' ' A' ' 140' ' ' GLU . 0.2 OUTLIER -168.62 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.499 ' OE1' HD12 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -69.31 174.67 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -99.98 1.18 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.5 t -55.34 -50.91 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 146' ' ' ASN . 62.1 p -52.11 -40.01 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.769 HG21 ' HG3' ' A' ' 130' ' ' GLN . 45.0 t -61.78 -44.05 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.84 -45.95 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.731 ' ND2' ' CZ ' ' A' ' 107' ' ' PHE . 2.5 m120 -43.02 -53.87 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.635 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.1 t80 -76.87 -70.61 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.695 ' CE2' ' CG1' ' A' ' 144' ' ' VAL . 7.1 m-30 -33.4 -34.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.518 ' O ' ' CG ' ' A' ' 152' ' ' ARG . 18.7 mmt -90.73 -46.0 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 146' ' ' ASN . 5.5 t-20 -61.91 -41.3 97.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.61 ' O ' ' CZ ' ' A' ' 119' ' ' PHE . . . -90.18 0.34 57.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 149' ' ' MET . 25.2 ptt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.031 HG23 HG21 ' A' ' 12' ' ' VAL . 4.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.44 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -84.16 -168.19 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.482 HG23 HD21 ' A' ' 46' ' ' LEU . 1.2 m -101.84 -55.61 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -97.4 -26.56 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.66 -27.31 45.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.031 HG21 HG23 ' A' ' 7' ' ' ILE . 7.8 p -70.64 -52.28 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.679 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -50.87 -63.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -27.31 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 19' ' ' GLU . 7.9 ttt180 -67.51 -59.84 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.896 ' CD1' HD12 ' A' ' 42' ' ' LEU . 4.6 mt -35.95 -43.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -58.42 -51.63 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 22' ' ' ARG . 4.9 m -88.35 1.06 55.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.84 -52.35 4.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.8 HD11 ' CD2' ' A' ' 68' ' ' TRP . 4.6 mm? -55.73 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.5 tttt -84.02 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER 160.91 -29.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.4 m-85 179.39 35.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.83 63.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.829 HD11 ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -57.49 125.38 71.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.505 ' HB2' HD12 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.97 80.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.49 -36.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -59.01 -60.17 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 26' ' ' PRO . 5.1 mt -59.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 1.219 ' CE2' HD23 ' A' ' 35' ' ' LEU . 21.4 t80 -69.84 -4.44 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -93.27 -41.79 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -15.67 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HD3' ' CE2' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -66.69 -79.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.891 HG13 HD22 ' A' ' 35' ' ' LEU . 2.5 p -125.6 -66.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.219 HD23 ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -68.03 149.15 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.639 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 2.1 p -55.37 -56.84 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.12 110.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 2.8 m -170.9 134.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.794 ' HB2' HG23 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -119.43 60.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 30.98 3.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.425 HG22 ' CE ' ' A' ' 65' ' ' MET . 2.4 t -52.78 -35.82 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.896 HD12 ' CD1' ' A' ' 16' ' ' ILE . 28.3 mt -47.57 -57.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -54.82 -38.13 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.97 -60.26 4.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.997 HD13 HD21 ' A' ' 55' ' ' LEU . 3.5 pp -62.4 -19.26 63.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.74 HD11 ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -89.8 4.07 50.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -33.45 -47.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' LEU . 6.9 p30 -72.4 146.18 88.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.2 OUTLIER -137.87 102.07 8.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 121.01 6.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m0 45.13 61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 46.5 t -91.29 -54.53 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 87.27 38.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.997 HD21 HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER 37.74 76.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -59.03 -31.65 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.415 ' HB2' HD22 ' A' ' 55' ' ' LEU . 4.5 m -54.0 -45.67 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.91 108.87 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -68.49 -25.75 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.52 -36.99 82.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.59 HG22 HD21 ' A' ' 42' ' ' LEU . 2.7 m -58.65 -64.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CE1' HD11 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -42.91 -47.32 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.537 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -61.96 -48.5 80.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.548 ' CG ' HD11 ' A' ' 35' ' ' LEU . 1.2 ttt180 -37.72 -48.11 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.8 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -65.29 -53.48 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.953 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.647 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 11.8 m0 -49.58 -36.95 25.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 108.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 14.7 mttt -51.11 -55.48 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.8 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -43.79 -59.29 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 108.016 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.72 -33.61 64.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -77.18 1.51 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 146' ' ' ASN . 2.0 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.51 0.195 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.442 HG21 ' NE2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -98.97 163.72 12.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.95 -41.48 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.2 p -66.84 -40.37 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.536 ' O ' HD11 ' A' ' 133' ' ' ILE . 35.0 mt-30 -66.86 -59.91 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -53.88 -18.9 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -82.68 -29.33 30.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.521 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 37.5 m -75.04 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.748 HD22 HG21 ' A' ' 133' ' ' ILE . 3.6 tp -59.37 -33.2 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.624 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 48.7 t60 -62.6 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.58 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.22 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.913 HG13 HD11 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -71.26 -49.7 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.55 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -44.48 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -69.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 170.0 104.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.548 ' HB2' HD13 ' A' ' 118' ' ' ILE . 1.6 m-20 -161.52 -76.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.899 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -149.62 42.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 15.1 mtm180 -58.11 -42.63 96.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.02 58.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.552 1.817 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 129' ' ' LEU . 2.8 m -150.99 90.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.421 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -46.41 -36.19 6.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -37.15 86.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.913 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.847 ' N ' HD23 ' A' ' 129' ' ' LEU . 11.3 tt0 -45.61 -40.4 8.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 127' ' ' LYS . 4.3 mt -81.74 -25.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 84.0 m -63.36 -50.32 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.748 HG21 HD22 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.18 -53.64 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.598 ' HB3' HG23 ' A' ' 144' ' ' VAL . 0.9 OUTLIER -55.28 -37.66 67.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 19.2 tt0 -86.23 -2.35 58.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.5 -44.62 20.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.485 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.5 mp -128.23 21.85 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -167.64 -120.31 0.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' SER . 1.1 pp 169.72 -34.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.754 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 153.04 38.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -2.97 49.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -60.6 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.526 HG21 ' OE1' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -49.72 -48.9 49.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.72 HG21 ' HG2' ' A' ' 130' ' ' GLN . 2.0 t -44.97 -49.3 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -40.2 89.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.513 ' HA ' ' CE2' ' A' ' 107' ' ' PHE . 36.6 t-20 -41.54 -45.29 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.628 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 0.8 OUTLIER -88.88 -68.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.517 ' HE1' HD21 ' A' ' 115' ' ' LEU . 5.4 m-85 -35.01 -35.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -80.01 -52.4 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.35 -50.31 72.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.628 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -73.15 -70.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.019 HG23 HG21 ' A' ' 12' ' ' VAL . 2.2 mp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.41 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.766 ' O ' HD21 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -100.62 -55.19 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.432 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.81 ' HG2' HD23 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -88.38 -42.58 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.4 mt-10 -58.11 -22.96 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.019 HG21 HG23 ' A' ' 7' ' ' ILE . 1.4 t -80.95 -58.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . . . -43.48 -38.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -79.17 -35.15 42.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -59.55 -40.95 88.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.764 HG13 HD11 ' A' ' 69' ' ' LEU . 3.7 mt -64.6 -63.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' TYR . 60.0 m -56.71 -16.99 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 17.3 m -92.02 -37.93 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ARG . 7.6 tp10 -81.46 -54.17 5.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.891 ' HB3' HD13 ' A' ' 25' ' ' ILE . 55.5 mt -39.79 -88.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -91.9 -60.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.605 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER 168.04 -28.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 173.21 36.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER 164.07 77.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.891 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -66.75 138.61 95.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.05 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.744 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -40.52 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.96 -48.95 78.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.528 HG22 ' HG3' ' A' ' 33' ' ' ARG . 24.1 mm -68.77 -48.68 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CE2' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -71.11 -0.74 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -91.71 -47.82 7.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.19 1.33 56.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HG3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -90.31 -77.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.638 HG23 ' H ' ' A' ' 35' ' ' LEU . 30.0 m -122.72 -61.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.7 HD22 ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.87 168.9 19.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.565 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 84.1 m -85.01 -43.85 13.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 37' ' ' ARG . 2.9 ptm180 -172.12 101.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -170.49 139.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.483 ' HG2' ' CG ' ' A' ' 27' ' ' GLN . 1.3 pt20 -123.09 73.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 92.52 38.03 5.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.716 HG22 ' HE3' ' A' ' 65' ' ' MET . 0.0 OUTLIER -46.91 -21.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.422 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.955 HD22 ' CD1' ' A' ' 62' ' ' PHE . 33.5 mt -64.73 -57.19 9.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -13.39 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' A' ' 41' ' ' THR . 3.7 m-20 -80.72 -55.92 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.896 HD12 ' HG ' ' A' ' 55' ' ' LEU . 2.5 tm? -70.82 -21.57 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.81 HD23 ' HG2' ' A' ' 10' ' ' LYS . 7.9 mp -76.32 -1.92 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.5 tmt_? -37.41 -35.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -91.46 146.96 34.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.78 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' O ' HG21 ' A' ' 9' ' ' THR . 0.0 OUTLIER -146.09 106.25 4.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.47 13.32 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.3 m0 62.56 45.4 6.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 55' ' ' LEU . 1.2 t -79.33 -37.56 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.52 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.896 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 47.0 65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -47.39 -44.55 24.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -50.62 -46.61 58.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.4 77.99 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -17.62 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -47.57 -35.81 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.9 m -59.0 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.955 ' CD1' HD22 ' A' ' 42' ' ' LEU . 5.3 m-85 -52.63 -59.48 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -41.84 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 9.9 mmt180 -64.96 -52.6 55.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.716 ' HE3' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -47.07 -48.75 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.833 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.19 -31.82 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 3.2 ttpp -51.65 -53.24 40.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.627 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -50.76 -57.97 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 107.982 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.764 HD11 HG13 ' A' ' 16' ' ' ILE . 2.2 mt -55.41 -35.73 65.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -77.24 2.39 15.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' A' ' 146' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.5 0.191 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.5 m -97.91 158.4 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 1.1 t70 -86.71 -38.76 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.74 -47.53 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.586 ' HA ' HD11 ' A' ' 133' ' ' ILE . 79.5 mt-30 -59.29 -60.45 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.518 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -50.34 -21.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -80.35 -30.66 38.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.502 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 77.5 m -76.84 -57.76 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.691 HD22 HG21 ' A' ' 133' ' ' ILE . 5.2 tp -58.04 -52.08 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.58 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 21.4 t-160 -49.32 -40.97 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.62 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.83 HG13 HD11 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -74.55 -24.25 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.595 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 12.3 t80 -51.3 -23.75 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 174.79 106.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -176.04 -67.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.906 ' CB ' HD13 ' A' ' 129' ' ' LEU . 16.2 mmtt -135.39 36.55 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -43.73 -51.82 15.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.553 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.01 -92.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.6 m 25.33 76.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.96 -38.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 129' ' ' LEU . 12.7 pt-20 -61.62 -46.98 87.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.906 HD13 ' CB ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -51.98 -55.73 18.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.8 ' CG ' HG11 ' A' ' 144' ' ' VAL . 0.4 OUTLIER -42.19 -39.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.6 mt -84.83 -27.13 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.2 m -63.42 -46.21 87.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.691 HG21 HD22 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.65 -53.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -55.47 -36.37 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -79.66 -28.97 40.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.78 ' HB3' HD12 ' A' ' 137' ' ' LEU . 14.8 tp60 -52.22 -49.73 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' A' ' 136' ' ' GLN . 4.1 mp -126.52 33.69 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.778 ' C ' HD23 ' A' ' 139' ' ' LEU . . . -178.28 -127.91 1.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.778 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER 178.5 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -75.01 174.13 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.648 ' H ' HD13 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -97.03 0.64 49.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.443 ' N ' HD22 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -48.22 -59.37 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 134' ' ' SER . 3.1 t -53.55 -53.27 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.8 HG11 ' CG ' ' A' ' 130' ' ' GLN . 71.2 t -43.62 -47.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -57.3 -39.95 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.553 ' HA ' ' CE2' ' A' ' 107' ' ' PHE . 38.3 t-20 -45.36 -50.57 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 151' ' ' ALA . 0.1 OUTLIER -83.29 -68.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.604 ' CD1' HG13 ' A' ' 144' ' ' VAL . 6.2 m-85 -35.74 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 145' ' ' SER . 26.8 tpp -87.24 -44.4 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' PHE . 16.3 t30 -66.8 -49.36 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -76.91 -66.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.5 mp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 64.76 94.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.744 HG22 ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -56.54 -44.84 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.408 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -66.56 -57.38 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.4 mt-10 -60.22 -21.73 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.874 HG13 HD11 ' A' ' 16' ' ' ILE . 2.1 t -65.95 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.583 ' HB1' ' CA ' ' A' ' 43' ' ' SER . . . -43.93 -55.61 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -63.63 -30.64 71.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 19' ' ' GLU . 5.6 mtt180 -64.84 -67.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.874 HD11 HG13 ' A' ' 12' ' ' VAL . 2.7 mp -41.5 -30.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.764 HG22 ' HA ' ' A' ' 23' ' ' TYR . 3.4 m -68.48 -48.39 64.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 15' ' ' ARG . 49.4 m -91.31 -3.48 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -91.84 -49.28 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.856 ' HB3' HD13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -65.39 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.8 ttpp -84.13 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 1.4 ptt85 163.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.764 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER 174.14 36.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 167.11 76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.856 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.5 tp -70.35 132.92 87.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.787 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . 5.2 mp0 -36.97 -56.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -38.9 -43.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.609 HD13 ' HG2' ' A' ' 26' ' ' PRO . 1.4 mp -71.98 -50.05 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.639 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -64.78 -5.06 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -88.41 -47.37 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -3.99 58.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -91.09 -77.82 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.774 HG12 HD13 ' A' ' 35' ' ' LEU . 94.7 t -121.31 -80.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.774 HD13 HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -59.52 177.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.8 t -96.39 -42.03 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttm105 -171.76 90.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.41 122.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.437 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 3.2 tm0? -101.02 80.64 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 89.71 40.94 5.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.522 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -42.87 -26.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.746 HD12 HD13 ' A' ' 16' ' ' ILE . 14.2 mt -71.22 -65.1 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.583 ' CA ' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -47.26 -32.73 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' THR . 1.7 t0 -55.17 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.948 ' HB3' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -74.33 -17.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -91.49 3.49 54.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.511 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.31 -42.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.9 m-80 -78.55 127.8 79.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 93.05 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 153.69 23.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 123.0 7.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 58.56 58.53 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 t -40.94 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.4 25.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.948 HD21 ' HB3' ' A' ' 45' ' ' LEU . 3.1 mm? -106.83 33.86 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -28.83 13.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.0 m -59.85 -52.3 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 61' ' ' THR . . . -117.47 70.32 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -16.66 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -35.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 62' ' ' PHE . 7.4 t -73.91 -54.58 7.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.744 ' CE2' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -50.78 -51.95 45.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.598 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.7 ttt180 -54.41 -60.56 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.459 ' O ' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -37.24 -40.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.676 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.18 -60.83 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.628 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 2.7 m0 -46.57 -26.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -63.32 -50.89 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.517 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -47.53 -50.61 23.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.784 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -65.84 -36.6 83.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.38 -41.78 94.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' GLN . 10.1 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.49 0.186 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.475 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 4.6 m -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 108' ' ' THR . 8.1 t0 -90.39 -47.25 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 111' ' ' GLN . 10.9 p -51.24 -51.05 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.649 ' HA ' HD11 ' A' ' 133' ' ' ILE . 1.5 pp0? -53.07 -52.79 57.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.493 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 40.6 ttp180 -53.45 -18.45 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -42.84 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.518 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 8.8 m -77.86 -48.08 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.074 HD21 HG22 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -47.7 -51.3 22.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.68 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 3.9 t-80 -59.98 -40.27 88.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -56.74 -18.71 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.719 HG12 HD21 ' A' ' 129' ' ' LEU . 0.7 OUTLIER -83.63 -36.94 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.829 ' CE2' ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -50.29 -28.19 7.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -78.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 175.52 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.81 -69.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 129' ' ' LEU . 21.1 mtmt -140.95 37.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HA ' HG23 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -40.29 -49.5 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.692 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.04 -87.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 125' ' ' PRO . 4.3 m 6.64 79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.632 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.2 OUTLIER -39.2 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 132' ' ' THR . 4.1 tp10 -70.06 -50.41 41.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 1.036 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -39.38 -52.48 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 1.036 ' N ' HD13 ' A' ' 129' ' ' LEU . 4.7 tt0 -56.49 -42.7 78.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 127' ' ' LYS . 1.9 mp -81.88 -3.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 128' ' ' GLU . 35.8 m -90.03 -45.21 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -72.94 -42.15 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.669 ' HB3' HG23 ' A' ' 144' ' ' VAL . 2.1 p -67.52 -44.32 78.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 131' ' ' ILE . 61.2 tt0 -71.46 -32.39 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 132' ' ' THR . 54.8 tt0 -76.44 -45.38 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 38.16 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.715 ' C ' HD23 ' A' ' 139' ' ' LEU . . . 172.6 -117.56 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER 175.14 -35.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.39 -171.92 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.4 pp -100.42 -7.59 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' SER . 0.2 OUTLIER -48.82 -61.06 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.659 HG23 ' HB2' ' A' ' 134' ' ' SER . 0.5 OUTLIER -40.08 -53.4 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 1.074 HG22 HD21 ' A' ' 115' ' ' LEU . 25.0 t -50.42 -41.84 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.84 -38.29 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -52.85 40.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.68 ' CE1' ' HA ' ' A' ' 116' ' ' HIS . 3.1 t80 -78.99 -67.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.741 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 4.7 m-30 -34.4 -42.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -71.67 -51.88 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.43 -55.48 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.829 ' HB1' ' CE2' ' A' ' 119' ' ' PHE . . . -68.27 -70.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.923 HG23 HG21 ' A' ' 12' ' ' VAL . 1.5 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -79.33 -174.39 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.782 HG22 HD21 ' A' ' 46' ' ' LEU . 1.2 m -95.3 -58.28 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.65 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -86.37 -44.38 12.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -22.1 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.923 HG21 HG23 ' A' ' 7' ' ' ILE . 1.2 t -72.51 -61.24 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.653 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -43.62 -56.0 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.57 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.699 HG21 ' HG2' ' A' ' 65' ' ' MET . 3.3 mt -38.81 -39.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.745 ' HA ' HD11 ' A' ' 25' ' ' ILE . 2.3 m -61.55 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' ARG . 88.9 m -90.78 -1.37 57.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -96.36 -27.85 14.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.904 HD21 ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -85.4 -93.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -80.42 -6.95 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 84.56 -18.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.259 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 167.87 38.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -170.97 63.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 17' ' ' THR . 38.9 mm -59.23 115.93 14.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLN . 18.1 Cg_endo -75.0 83.65 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.599 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 2.9 mp0 -38.02 -42.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -63.67 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ARG . 39.7 mm -57.44 -57.08 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.904 ' CE1' HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.69 -17.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -92.71 -34.42 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -92.13 -0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -91.52 -78.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.646 HG13 HD22 ' A' ' 35' ' ' LEU . 7.2 p -123.24 -58.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.646 HD22 HG13 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -61.52 166.6 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.57 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -90.36 -49.27 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 89.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -170.85 139.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -103.81 64.21 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' THR . . . 99.35 34.54 5.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.541 ' OG1' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -34.63 -36.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.922 HD21 ' CD1' ' A' ' 62' ' ' PHE . 1.8 mt -39.44 -49.33 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -45.01 71.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -49.14 -59.42 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.652 HD12 HD12 ' A' ' 46' ' ' LEU . 1.3 pp -61.33 -21.06 63.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.782 HD21 HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -87.35 1.73 52.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -41.42 -28.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 46' ' ' LEU . 7.2 p-10 -86.95 152.8 54.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.0 OUTLIER -156.55 85.89 3.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.79 11.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.807 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 5.4 m0 54.53 53.79 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.641 ' H ' HG21 ' A' ' 9' ' ' THR . 31.1 t -90.12 -41.61 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 75.75 17.81 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER 39.43 68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -47.96 -44.6 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 m -97.0 59.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.52 55.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -43.36 56.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.3 -32.92 51.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.657 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -58.64 -66.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.922 ' CD1' HD21 ' A' ' 42' ' ' LEU . 2.0 m-85 -43.09 -52.97 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' TRP . 10.7 ttm180 -54.48 -54.59 38.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -36.63 -42.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.699 ' HG2' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.38 -47.77 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.77 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 2.6 m0 -54.71 -30.45 56.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.065 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.97 -54.13 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.621 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.1 t90 -46.74 -52.42 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.525 ' CD2' HD13 ' A' ' 20' ' ' LEU . 3.5 mt -50.45 -47.76 56.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -71.76 -75.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.514 0.197 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 111' ' ' GLN . 9.5 t -106.11 175.29 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -92.02 -46.87 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.523 ' HB ' HD22 ' A' ' 137' ' ' LEU . 15.9 m -40.46 -49.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.971 ' NE2' HG21 ' A' ' 143' ' ' THR . 0.0 OUTLIER -70.08 -55.33 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.2 ptt180 -54.08 -16.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -82.01 -39.92 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.559 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 16.3 m -74.6 -55.86 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.028 HD22 ' CE2' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -55.12 -36.15 65.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.623 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 30.6 t-80 -67.11 -31.68 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.16 -18.15 61.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.96 HG13 HD11 ' A' ' 129' ' ' LEU . 0.9 OUTLIER -75.98 -44.7 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -41.74 -27.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 118' ' ' ILE . 10.4 mmtt -68.5 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -179.25 104.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.412 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -155.34 -62.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.672 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -160.13 41.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 18.6 mtm180 -58.17 -42.63 95.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.01 56.43 4.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 m -153.41 105.89 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.44 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -30.79 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.96 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -61.5 -53.72 52.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.573 ' HG3' ' CE2' ' A' ' 148' ' ' PHE . 0.0 OUTLIER -49.68 -36.16 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.1 mp -83.56 -24.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 129' ' ' LEU . 49.7 m -68.05 -48.47 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.84 HG21 ' HG ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -66.16 -44.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 139' ' ' LEU . 2.2 p -58.59 -40.29 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -80.54 -21.14 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -62.42 -42.17 99.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.523 HD22 ' HB ' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -126.37 23.54 6.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . 177.31 -120.42 0.73 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 168.85 -32.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -76.8 146.59 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.17 -6.83 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.9 m -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.971 HG21 ' NE2' ' A' ' 111' ' ' GLN . 15.2 p -65.72 -49.19 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.768 ' HA ' HD12 ' A' ' 115' ' ' LEU . 47.8 t -41.62 -53.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -52.48 -44.88 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 145' ' ' SER . 20.1 t-20 -36.77 -49.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 1.028 ' CE2' HD22 ' A' ' 115' ' ' LEU . 6.3 t80 -91.65 -69.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 130' ' ' GLN . 1.2 m-30 -34.5 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -87.58 -49.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 147' ' ' PHE . 9.0 t30 -65.09 -45.99 82.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.742 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -79.44 -62.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.554 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.605 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER 74.92 161.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.704 HG21 ' HA ' ' A' ' 52' ' ' TRP . 11.6 p -102.3 -39.13 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 25.8 tttt -90.35 -49.2 6.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.2 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.746 HG21 ' NE1' ' A' ' 66' ' ' TRP . 6.3 p -67.46 -47.61 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -50.15 -58.65 5.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.59 -45.38 93.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 1.3 mtp85 -51.85 -32.65 32.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 13' ' ' ALA . 9.4 mt -65.52 -63.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -55.29 -25.67 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -91.08 -19.58 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 2.4 mm-40 -93.82 -16.39 24.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.854 ' HB3' HD13 ' A' ' 25' ' ' ILE . 1.2 mt -90.22 -93.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -91.46 1.15 57.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 88.02 -24.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 164.48 37.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 178.24 72.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.854 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -91.49 140.85 25.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.06 85.71 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.718 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.18 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.68 -51.23 70.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' PRO . 11.1 mt -76.14 -44.28 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.3 t80 -66.94 -4.65 10.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -91.16 -52.08 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.55 0.4 55.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.438 ' NH1' ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -77.73 -66.81 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 64' ' ' ARG . 90.2 t -120.33 -73.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.615 HD23 ' CB ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -109.51 149.51 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -51.82 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.337 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.818 ' HB3' HG21 ' A' ' 41' ' ' THR . 9.0 mmt85 -59.96 150.25 29.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 48.8 m -167.81 -178.35 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 78.31 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.09 31.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.818 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -51.76 -20.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.458 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.818 HD13 ' SD ' ' A' ' 65' ' ' MET . 1.1 mp -66.14 -54.33 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.425 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -56.55 -17.67 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -56.81 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -79.64 -15.63 57.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 62' ' ' PHE . 3.1 mm? -91.53 -6.53 52.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.4 ttt180 -38.18 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.508 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -59.04 178.24 0.22 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.02 58.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.575 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER 31.69 56.53 1.07 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 16.23 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.704 ' HA ' HG21 ' A' ' 9' ' ' THR . 5.3 m-90 71.28 40.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' TRP . 3.2 t -36.74 -66.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 69.84 18.34 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.17 HD23 ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm? 38.3 74.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -62.42 -32.51 73.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -84.48 50.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.77 58.91 0.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -50.18 -29.65 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.15 -29.71 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.9 m -66.53 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 1.17 ' CD1' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -42.46 -54.04 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.7 ttt-85 -64.84 -54.92 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.65 ' O ' HG11 ' A' ' 34' ' ' VAL . 6.4 mtt180 -36.95 -38.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.818 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -68.17 -51.62 43.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.746 ' NE1' HG21 ' A' ' 12' ' ' VAL . 2.0 m0 -54.96 -24.61 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 2.2 mttt -76.18 -31.05 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.653 ' CE3' HD22 ' A' ' 20' ' ' LEU . 5.8 t90 -62.39 -44.07 97.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD22 HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.31 -20.78 29.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 3.1 tp60 -50.9 -61.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' GLN . 22.8 mm-40 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.467 0.175 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 110' ' ' VAL . 35.7 m -107.96 152.17 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.52 -38.35 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.692 HG11 HD22 ' A' ' 137' ' ' LEU . 58.4 t -59.12 -46.81 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.82 ' HA ' HD11 ' A' ' 133' ' ' ILE . 0.7 OUTLIER -67.75 -58.63 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.788 HH21 ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -50.38 -21.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.21 -37.67 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.547 HG21 HG12 ' A' ' 133' ' ' ILE . 30.9 m -67.86 -59.59 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 133' ' ' ILE . 3.3 tp -56.45 -45.86 80.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.788 ' CG ' HH21 ' A' ' 112' ' ' ARG . 20.8 t-80 -53.79 -28.72 36.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -79.21 -21.6 46.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.536 HG13 HD11 ' A' ' 129' ' ' LEU . 27.5 mm -70.87 -45.24 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.5 t80 -38.31 -35.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -56.19 -68.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.8 mt-10 165.99 101.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -154.01 -70.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.7 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -139.47 15.54 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 1.3 ttp180 -34.51 -53.55 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.98 67.77 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 36.6 m -165.05 89.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.6 OUTLIER -48.82 -32.91 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -37.09 86.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.7 HD13 ' CB ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -61.39 -52.49 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.762 ' HG3' HG11 ' A' ' 144' ' ' VAL . 3.3 tm0? -46.46 -35.92 6.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 127' ' ' LYS . 5.5 mt -86.17 -24.6 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 97.9 m -68.09 -47.85 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.832 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -65.37 -45.9 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 139' ' ' LEU . 1.0 OUTLIER -63.54 -36.92 85.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.65 -8.32 58.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -46.52 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.692 HD22 HG11 ' A' ' 110' ' ' VAL . 1.9 mp -127.59 28.5 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.495 ' O ' HD23 ' A' ' 139' ' ' LEU . . . -171.03 -121.3 0.58 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.55 HD12 ' HG2' ' A' ' 140' ' ' GLU . 0.5 OUTLIER 170.92 -40.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.55 ' HG2' HD12 ' A' ' 139' ' ' LEU . 43.1 mm-40 -78.85 161.0 27.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 141' ' ' LEU . 0.6 OUTLIER -86.54 0.43 54.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -56.67 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 144' ' ' VAL . 2.3 t -52.6 -52.89 53.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.762 HG11 ' HG3' ' A' ' 130' ' ' GLN . 62.9 t -41.64 -46.9 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.27 -44.26 75.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -42.35 -45.51 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.595 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.2 t80 -90.34 -71.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.716 ' CD1' HG13 ' A' ' 144' ' ' VAL . 5.0 m-85 -34.3 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -82.55 -51.68 7.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 147' ' ' PHE . 28.1 t30 -62.99 -47.95 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.595 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -77.54 -66.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.578 ' HB2' HD12 ' A' ' 7' ' ' ILE . 0.5 OUTLIER 157.27 166.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.602 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 60.5 p -103.21 -46.45 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.65 -39.38 9.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -30.19 69.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.778 HG23 HG12 ' A' ' 7' ' ' ILE . 7.1 p -67.17 -55.02 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.756 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -45.28 -40.32 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -78.34 -36.53 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -63.37 -30.22 71.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.821 HD13 ' HG2' ' A' ' 65' ' ' MET . 6.0 mt -69.96 -52.91 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.711 HG22 ' HA ' ' A' ' 23' ' ' TYR . 89.2 m -69.71 -21.6 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 m -91.57 -27.76 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 7.3 tt0 -85.65 -54.91 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.763 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -46.15 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.4 tmtt? -90.21 -57.67 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.57 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 157.79 -23.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.711 ' HA ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER 170.92 37.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER 164.91 75.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.038 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.718 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -67.39 137.95 93.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.639 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.4 Cg_endo -74.96 106.38 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.3 mp0 -35.02 -68.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -31.97 -50.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' ' 26' ' ' PRO . 1.6 mp -59.5 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -60.92 -10.83 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -92.41 -36.31 13.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -91.98 -12.31 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' HG2' ' NE1' ' A' ' 68' ' ' TRP . 5.6 mpt_? -79.47 -82.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG13 HD13 ' A' ' 35' ' ' LEU . 10.1 p -123.43 -54.87 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD22 ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -69.48 169.98 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.659 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 1.4 t -95.49 -40.41 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.12 92.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 m -166.28 131.94 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.462 ' OE1' ' CG ' ' A' ' 27' ' ' GLN . 6.9 pm0 -127.62 69.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.33 28.95 6.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.601 HG22 ' HE2' ' A' ' 65' ' ' MET . 1.8 t -50.94 -19.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.625 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mp -69.12 -52.12 31.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -20.51 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.982 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -59.05 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -68.37 -20.32 64.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.692 HD21 ' CE1' ' A' ' 62' ' ' PHE . 2.8 mm? -85.48 -20.75 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -39.52 -35.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.403 ' ND2' ' HD3' ' A' ' 50' ' ' LYS . 33.8 p30 -66.04 146.38 99.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 70.93 5.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HD3' ' ND2' ' A' ' 48' ' ' ASN . 2.5 mtpp -133.37 90.06 30.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 126.8 10.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.515 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 0.6 OUTLIER 70.69 50.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 4.7 t -84.37 -60.65 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 90.04 43.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.715 HD23 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 38.21 55.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -26.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 55' ' ' LEU . 12.5 m -100.16 62.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.82 61.87 0.51 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.11 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -47.91 -42.97 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 3.0 m -53.59 -55.75 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.715 ' CE1' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -45.53 -35.97 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.517 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.5 ttp85 -76.39 -31.25 57.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.517 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -61.4 -33.62 73.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.821 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.27 -58.63 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.762 ' NE1' HG21 ' A' ' 12' ' ' VAL . 3.7 m0 -46.63 -27.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -64.88 -53.34 48.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.8 t90 -47.09 -49.49 21.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.763 HD23 ' CD1' ' A' ' 20' ' ' LEU . 22.2 mt -54.7 -40.55 69.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -79.07 -77.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.443 ' N ' ' HB3' ' A' ' 142' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.528 0.204 . . . . 0.0 111.033 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 m -117.99 171.61 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.48 -42.04 11.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.2 t -50.1 -51.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.698 ' HA ' HD11 ' A' ' 133' ' ' ILE . 6.4 mt-30 -64.23 -57.35 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 3.9 tmm_? -44.13 -26.69 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 111' ' ' GLN . 5.1 mtp180 -76.32 -43.5 40.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.546 HG21 HG12 ' A' ' 133' ' ' ILE . 39.4 m -61.12 -61.89 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.883 HD13 HG21 ' A' ' 133' ' ' ILE . 4.2 tp -55.1 -41.48 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 41.7 t60 -53.89 -27.99 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.39 -22.2 30.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.737 HG13 HD21 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -66.68 -44.67 89.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.573 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.3 t80 -40.81 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.33 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 1.1 pt-20 161.67 111.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 17.0 t30 -176.55 -76.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.661 ' O ' HD12 ' A' ' 129' ' ' LEU . 18.1 mmtt -133.36 35.36 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 63.6 mtm180 -56.34 -41.18 89.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.96 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.0 m -27.6 92.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.3 mmtt -46.89 -32.78 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 131' ' ' ILE . 21.1 tp10 -66.07 -54.24 28.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -42.16 -45.57 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 1.008 ' N ' HD13 ' A' ' 129' ' ' LEU . 11.3 tt0 -55.12 -43.1 73.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' GLU . 19.1 mm -84.06 -11.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 67.7 m -75.76 -43.12 48.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.883 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.81 -47.3 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.578 ' HA ' HG21 ' A' ' 143' ' ' THR . 1.0 OUTLIER -56.32 -38.23 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -84.43 -27.79 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.635 ' HB3' HD22 ' A' ' 137' ' ' LEU . 2.8 tp-100 -47.26 -50.41 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.7 OUTLIER -113.73 -26.21 8.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -115.66 -136.05 5.88 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.48 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.413 ' O ' ' OG ' ' A' ' 134' ' ' SER . 0.4 OUTLIER -76.58 -179.44 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 141' ' ' LEU . 1.5 pp -100.49 2.95 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.443 ' HB3' ' N ' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -49.77 -59.72 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.578 HG21 ' HA ' ' A' ' 134' ' ' SER . 1.4 t -48.67 -57.07 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.748 HG13 ' CD1' ' A' ' 148' ' ' PHE . 62.2 t -40.75 -41.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.6 OUTLIER -58.94 -47.43 85.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 143' ' ' THR . 28.4 t-20 -43.13 -42.82 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.647 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.4 t80 -87.59 -73.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.748 ' CD1' HG13 ' A' ' 144' ' ' VAL . 7.0 m-85 -35.17 -33.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -79.69 -53.29 6.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -65.11 -49.29 70.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.647 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -70.53 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.811 HG23 HG21 ' A' ' 12' ' ' VAL . 2.6 mp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.415 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 1.1 t30 -79.57 -165.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.751 ' O ' HD21 ' A' ' 46' ' ' LEU . 1.8 m -103.99 -55.88 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.9 ttpt -82.35 -49.96 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -57.51 -25.28 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.811 HG21 HG23 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -77.67 -59.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.552 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -45.73 -53.66 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' THR . 3.0 mm100 -62.97 -25.51 68.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -63.99 -65.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.74 HD13 ' HG2' ' A' ' 65' ' ' MET . 2.5 mp -46.77 -29.03 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.654 ' HA ' HD11 ' A' ' 25' ' ' ILE . 1.1 m -69.1 -49.87 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -90.34 -1.46 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -92.55 -56.37 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.764 HD11 ' CE3' ' A' ' 68' ' ' TRP . 1.8 mp -55.57 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 21' ' ' LYS . 3.4 tmtt? -87.99 -63.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.594 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 160.21 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 3.6 m-85 -179.89 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 m -162.62 65.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.664 HD11 ' O ' ' A' ' 16' ' ' ILE . 24.3 mm -57.4 116.09 12.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HB2' ' CG1' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.91 96.02 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.4 ' CA ' ' HB3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -51.22 -43.08 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.09 64.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.525 HG22 ' HG3' ' A' ' 33' ' ' ARG . 28.6 mm -84.39 -55.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -64.47 -9.66 20.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . . . -90.15 -42.35 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -92.14 -4.39 54.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HG3' HG22 ' A' ' 29' ' ' ILE . 12.2 mmt-85 -88.75 -81.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -123.16 -61.83 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.62 ' CD2' ' HE3' ' A' ' 65' ' ' MET . 3.2 mp -59.36 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -57.58 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -171.78 88.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.9 p -171.54 124.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 pp0? -107.77 71.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' SER . . . 112.97 30.0 2.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -27.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.736 ' O ' HD13 ' A' ' 46' ' ' LEU . 20.0 mt -67.02 -49.65 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLY . 23.9 m -65.84 -11.65 48.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -90.93 -41.11 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 45' ' ' LEU . 1.1 tm? -82.57 -19.66 38.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.751 HD21 ' O ' ' A' ' 9' ' ' THR . 6.3 mp -80.95 -2.7 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.94 -38.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.478 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -77.3 135.31 65.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 119.25 4.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.32 9.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.5 m0 66.45 59.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.596 ' H ' HG21 ' A' ' 9' ' ' THR . 41.0 t -74.9 -10.65 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.03 32.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.917 HD23 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 41.95 75.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -45.1 18.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.52 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -146.91 97.99 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -45.91 -35.65 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.29 -32.24 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.8 m -59.21 -65.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.917 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 64' ' ' ARG . 6.2 ttt180 -62.22 -60.27 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -37.23 -33.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -71.88 -54.64 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.668 ' CH2' HG21 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -57.15 -24.83 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.9 -48.05 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.764 ' CE3' HD11 ' A' ' 20' ' ' LEU . 2.9 t90 -51.07 -49.84 59.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.64 HD23 ' CD1' ' A' ' 20' ' ' LEU . 29.3 mt -47.0 -45.97 21.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -85.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.5 0.191 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 m -96.4 151.85 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.27 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.31 -45.41 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.826 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.4 mp0 -67.96 -58.59 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -53.98 -24.03 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -71.49 -37.53 71.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.484 ' HB ' HD11 ' A' ' 133' ' ' ILE . 7.5 m -70.06 -59.37 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 133' ' ' ILE . 10.5 tp -56.11 -47.38 78.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.592 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 16.3 t60 -48.23 -39.9 22.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -62.59 -32.14 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.795 HD13 ' HB2' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -69.59 -20.18 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -52.52 -19.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.76 66.48 1.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.795 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.7 OUTLIER -149.7 -80.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 121' ' ' GLU . 0.5 OUTLIER 159.35 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.567 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER 165.38 48.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 10.1 mtm105 -79.91 -40.83 1.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.97 -95.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 125' ' ' PRO . 2.2 m 26.57 85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.824 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -44.84 -26.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 126' ' ' SER . 8.3 tp10 -72.6 -41.72 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -61.68 -61.87 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.416 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 4.0 pt20 -40.13 -40.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.824 HD12 ' O ' ' A' ' 127' ' ' LYS . 9.9 mt -78.89 -35.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 129' ' ' LEU . 54.6 m -57.93 -58.8 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.826 HD11 ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -51.11 -57.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.561 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -49.21 -58.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 135' ' ' GLN . 4.9 tt0 -56.46 -30.1 62.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.878 ' HB3' HD22 ' A' ' 137' ' ' LEU . 10.6 tt0 -50.28 -60.03 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.878 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.3 OUTLIER -114.89 27.24 9.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -179.59 -125.8 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.542 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER 160.71 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 134' ' ' SER . 3.1 tp10 176.44 166.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.237 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -92.82 0.38 57.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.27 -63.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.978 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 2.8 t -46.84 -47.08 21.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.641 ' CG1' ' CD2' ' A' ' 148' ' ' PHE . 66.2 t -44.69 -51.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.62 -32.65 63.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 143' ' ' THR . 19.8 t-20 -52.55 -49.92 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 151' ' ' ALA . 0.2 OUTLIER -87.92 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.641 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 3.7 m-30 -33.48 -36.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -88.18 -51.64 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 146' ' ' ASN . 4.0 m-20 -55.54 -41.6 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.626 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -89.63 -75.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.62 ' CG2' ' CZ3' ' A' ' 66' ' ' TRP . 2.9 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.443 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 32.3 m-80 -116.07 -172.89 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.69 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 22.3 p -104.18 -56.4 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.364 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -92.36 -38.02 12.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -70.22 -24.05 63.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -78.22 -50.82 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HB1' ' N ' ' A' ' 43' ' ' SER . . . -44.09 -52.29 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -27.37 66.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.6 -64.52 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.809 HD13 HD12 ' A' ' 42' ' ' LEU . 3.7 mt -39.03 -44.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 23' ' ' TYR . 53.9 m -56.15 -48.43 76.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.637 HG23 ' HD2' ' A' ' 22' ' ' ARG . 23.6 m -90.76 -1.16 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.34 -52.8 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.841 ' HB3' HD13 ' A' ' 25' ' ' ILE . 1.8 mm? -55.08 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 4.7 tmtm? -90.93 -61.78 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HD2' HG23 ' A' ' 18' ' ' THR . 4.0 tpt85 166.57 -28.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 170.84 36.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m 174.6 73.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.19 140.62 49.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.507 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 90.58 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 5.8 mp0 -41.55 -28.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.13 -45.86 92.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -78.95 -51.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.617 ' CZ ' ' CE ' ' A' ' 65' ' ' MET . 0.6 OUTLIER -56.13 -14.51 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.63 -39.04 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -92.57 3.03 56.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' CD ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -89.57 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 64' ' ' ARG . 74.6 t -117.17 -85.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.815 HD23 ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -90.79 176.4 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -93.55 -44.06 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.56 ' HB3' HG21 ' A' ' 41' ' ' THR . 12.7 mtt-85 -64.55 112.23 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -116.6 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 71.9 46.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 49.85 41.26 35.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.56 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -37.99 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 46' ' ' LEU . 17.2 mt -56.66 -64.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -41.78 -50.09 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 80.8 m-20 -50.13 -61.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.854 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.9 tm? -58.08 -23.29 54.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -84.82 4.92 30.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -32.34 -38.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' LEU . 7.0 p-10 -85.22 143.35 39.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 100.77 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -140.89 107.29 6.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 128.61 11.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.529 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 13.0 m0 47.73 52.02 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.7 t -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 91.93 32.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.846 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER 39.85 74.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -40.19 -40.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.63 -53.46 30.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.64 105.78 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -62.88 -15.66 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.9 p -49.54 -53.56 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.69 ' CZ ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -50.14 -62.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -57.8 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.815 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -41.53 -35.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.767 ' SD ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -72.06 -56.82 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.62 ' CZ3' ' CG2' ' A' ' 7' ' ' ILE . 1.8 m0 -54.85 -22.71 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -44.8 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CD2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -50.04 -53.6 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.737 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.11 -39.86 83.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -57.37 10.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.472 0.177 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -118.47 166.6 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.07 -37.7 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.33 -51.14 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.546 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -57.16 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -45.6 -32.43 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.484 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 49.8 m -68.72 -60.61 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.838 HD22 HG22 ' A' ' 144' ' ' VAL . 6.6 tp -57.14 -43.65 82.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.641 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 6.4 t-80 -51.81 -33.95 37.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.63 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.66 -22.79 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.957 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -69.46 -40.12 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.641 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -42.73 -32.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.9 mttm -49.23 -65.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.1 mt-10 162.89 107.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.25 -65.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.934 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -148.8 47.03 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 26.9 mtm105 -52.5 -43.95 93.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.644 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -74.99 -90.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.644 ' C ' ' O ' ' A' ' 125' ' ' PRO . 14.4 m 15.02 75.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 126' ' ' SER . 2.0 mmtm -39.68 -34.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.86 -50.74 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.957 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -44.19 -56.74 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.693 ' HG3' HG21 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -43.75 -46.59 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.0 mt -74.85 -26.05 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' ' 129' ' ' LEU . 6.8 m -65.06 -53.08 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.744 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.01 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.541 ' HA ' HG21 ' A' ' 143' ' ' THR . 1.0 OUTLIER -48.63 -55.56 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.78 -24.29 66.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.0 tt0 -51.35 -57.85 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 mp -116.86 14.46 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.358 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.805 ' O ' HD23 ' A' ' 139' ' ' LEU . . . -147.27 -143.13 3.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 138' ' ' GLY . 12.0 mt -151.03 -46.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 134' ' ' SER . 0.1 OUTLIER -88.23 177.69 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.74 1.4 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.33 -54.48 5.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.541 HG21 ' HA ' ' A' ' 134' ' ' SER . 1.2 t -51.1 -54.62 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.838 HG22 HD22 ' A' ' 115' ' ' LEU . 57.4 t -44.39 -43.66 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.4 OUTLIER -56.18 -40.8 74.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 143' ' ' THR . 55.0 t-20 -49.81 -54.08 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.6 t80 -73.99 -65.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 115' ' ' LEU . 3.8 m-85 -40.0 -27.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.8 ttp -87.71 -53.52 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -78.48 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' PHE . 46.7 ttt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.573 HG21 ' CE2' ' A' ' 66' ' ' TRP . 1.3 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.01 179.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.73 ' O ' HD21 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -101.41 -44.86 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.636 ' HA ' HD23 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -91.89 -36.31 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.59 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 16' ' ' ILE . 5.4 p -68.46 -44.46 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 42' ' ' LEU . . . -59.54 -59.08 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -26.75 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 19' ' ' GLU . 16.3 ttt180 -67.5 -64.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.4 mt -40.74 -32.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 1.1 m -68.03 -48.84 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' ARG . 8.7 m -89.18 -1.43 58.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.05 -41.14 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.029 HD23 HD13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -76.42 -87.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.3 tmtt? -79.72 -67.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.551 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 166.43 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 174.0 36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m 174.88 72.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.029 HD13 HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.58 137.44 88.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.614 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 96.2 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.652 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -41.25 -28.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -65.43 -36.6 84.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.614 ' N ' ' O ' ' A' ' 26' ' ' PRO . 34.5 mm -76.51 -54.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CE2' ' HE2' ' A' ' 65' ' ' MET . 0.1 OUTLIER -64.99 -7.29 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.28 -41.38 11.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -92.42 -7.31 47.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HG3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.31 -80.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 35' ' ' LEU . 22.9 m -123.56 -59.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.6 ' H ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -66.9 160.14 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.619 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -77.19 -53.05 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -168.66 96.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -170.3 127.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' HB2' HG23 ' A' ' 25' ' ' ILE . 1.2 pp0? -110.65 57.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 116.07 29.18 2.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.534 HG22 ' HE3' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.9 -28.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.743 ' O ' HD13 ' A' ' 46' ' ' LEU . 23.7 mt -64.04 -57.53 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.7 m -64.17 -12.85 44.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -85.94 -48.84 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.776 ' O ' HD13 ' A' ' 45' ' ' LEU . 3.0 tm? -75.56 -20.0 58.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 42' ' ' LEU . 7.7 mp -80.3 0.33 33.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -35.9 -58.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -68.17 155.33 92.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.424 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.0 109.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -157.12 93.64 2.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.28 13.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.3 m0 63.58 38.97 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.719 ' H ' HG21 ' A' ' 9' ' ' THR . 1.2 t -65.37 -42.93 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 66.78 10.19 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.74 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 49.72 64.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -45.76 -45.3 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.0 87.58 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -71.29 -36.62 71.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 0.763 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -53.53 -35.89 61.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -55.9 -66.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -40.61 -39.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ARG . 2.1 ttt180 -66.96 -58.37 5.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' ARG . 70.3 mtt-85 -37.58 -40.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.669 ' HE2' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -65.79 -59.01 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 1.8 m0 -51.38 -26.99 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -69.02 -35.0 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.683 ' CE3' HD11 ' A' ' 20' ' ' LEU . 7.1 t90 -56.81 -43.51 81.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -85.09 -34.35 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 66' ' ' TRP . 5.0 tt0 -78.65 2.67 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.4 mm-40 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.422 ' CE1' ' CG ' ' A' ' 146' ' ' ASN . 6.6 t80 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.486 0.184 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 111' ' ' GLN . 2.5 m -110.57 147.59 33.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -75.48 -47.46 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 137' ' ' LEU . 77.1 t -55.89 -48.51 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.617 ' H ' HG22 ' A' ' 108' ' ' THR . 5.5 mm100 -61.62 -60.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -21.67 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.7 OUTLIER -75.46 -35.82 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.538 ' CG2' HG13 ' A' ' 133' ' ' ILE . 35.1 m -77.57 -53.12 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -55.48 -43.66 75.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.665 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 38.3 t60 -57.18 -41.77 79.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.35 -18.37 64.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.571 HG12 HD21 ' A' ' 129' ' ' LEU . 0.6 OUTLIER -73.68 -42.0 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -37.31 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -106.22 -39.65 5.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.539 ' CB ' HD12 ' A' ' 118' ' ' ILE . 0.9 OUTLIER -37.44 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 7.1 p-10 154.54 -20.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 129' ' ' LEU . 20.1 mtmt -83.91 17.44 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.628 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -52.6 -44.0 93.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.2 Cg_endo -75.03 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.602 ' C ' ' O ' ' A' ' 125' ' ' PRO . 19.3 m -21.38 94.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.716 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.3 OUTLIER -51.18 -25.02 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.81 -25.88 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -72.68 -55.58 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.997 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -54.23 -32.0 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 127' ' ' LYS . 24.4 mt -83.98 -31.33 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 m -64.75 -46.78 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.644 HG21 ' HG ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.97 -56.7 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 133' ' ' ILE . 39.1 p -48.17 -34.87 10.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.03 -23.29 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -50.57 -55.27 16.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.518 HD12 ' OE1' ' A' ' 111' ' ' GLN . 1.5 mp -123.1 22.92 9.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -160.34 -130.62 1.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 176.76 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.21 164.8 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 144' ' ' VAL . 0.3 OUTLIER -89.09 0.27 56.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.41 -55.89 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 3.1 t -60.47 -48.01 83.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.875 ' HA ' HD12 ' A' ' 115' ' ' LEU . 79.3 t -40.87 -55.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -51.44 -41.73 61.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 143' ' ' THR . 34.9 t-20 -41.07 -50.68 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.839 ' HD2' HD13 ' A' ' 115' ' ' LEU . 2.4 t80 -91.29 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.449 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 1.7 m-30 -34.53 -34.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -87.0 -50.25 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.17 -45.34 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.708 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.97 -63.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.596 HG21 ' CE3' ' A' ' 66' ' ' TRP . 1.9 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.43 -171.1 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.539 HG23 ' HE2' ' A' ' 62' ' ' PHE . 1.2 m -102.36 -47.34 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HA ' HD23 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -96.77 -42.77 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -32.05 72.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.741 HG21 ' NE1' ' A' ' 66' ' ' TRP . 7.5 p -55.13 -55.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -47.23 -58.4 4.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.9 -21.49 63.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -73.14 -58.53 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 13' ' ' ALA . 3.1 mt -43.4 -33.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.6 m -69.3 -50.63 44.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -82.74 -2.65 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.68 -60.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.852 HD11 ' CE3' ' A' ' 68' ' ' TRP . 1.4 mp -56.89 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -85.65 -75.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.547 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 173.55 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.763 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER 177.42 35.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -162.42 61.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.06 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 39' ' ' GLN . 17.4 mm -58.83 120.46 46.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.01 85.1 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -29.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.29 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -78.69 -46.15 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 38' ' ' SER . 4.4 t80 -59.65 -13.3 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 35' ' ' LEU . . . -89.27 -54.39 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -79.81 1.15 27.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CG ' HG23 ' A' ' 29' ' ' ILE . 4.1 mmm180 -90.04 -67.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.758 HG23 ' CD1' ' A' ' 68' ' ' TRP . 21.8 t -114.49 -76.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -127.15 145.26 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -49.05 -42.11 37.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' O ' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.61 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.737 ' O ' HG22 ' A' ' 41' ' ' THR . 41.3 t -59.19 148.22 32.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.611 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -39.0 -42.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -41.46 -24.75 0.14 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 38' ' ' SER . 3.1 t -57.04 -35.42 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.851 HD11 ' HA ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -72.93 -58.31 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.3 p -65.67 -9.41 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' GLY . 4.2 m-20 -73.79 -53.9 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -78.52 -19.97 51.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.652 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -91.18 0.52 57.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' LEU . 9.3 ttt85 -33.74 -40.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -74.73 131.44 79.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 86.64 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -129.45 144.3 52.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.622 ' HB2' ' CE3' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 112.49 3.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.622 ' CE3' ' HB2' ' A' ' 51' ' ' PRO . 2.8 m-90 44.75 90.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 4.1 t -89.13 -40.4 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER 81.06 83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.671 HD12 ' HE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -38.38 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -65.45 -24.67 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -56.37 -48.77 76.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.809 ' O ' HG22 ' A' ' 61' ' ' THR . . . -177.55 107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -11.28 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.68 -56.24 11.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.809 HG22 ' O ' ' A' ' 58' ' ' GLY . 9.0 t -48.06 -34.55 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.851 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -58.68 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.532 ' HA ' ' CD2' ' A' ' 66' ' ' TRP . 8.8 ttt180 -60.48 -33.28 72.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.831 ' HB3' HD21 ' A' ' 35' ' ' LEU . 32.7 mmt180 -53.4 -63.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.148 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.764 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -45.9 -44.33 14.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.741 ' NE1' HG21 ' A' ' 12' ' ' VAL . 6.8 m0 -53.54 -31.44 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ARG . 5.5 mtpp -61.94 -45.69 92.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.852 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.8 t90 -45.17 -46.1 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.976 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.6 HD23 ' CD1' ' A' ' 20' ' ' LEU . 27.9 mt -52.88 -41.76 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -60.63 -42.43 96.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.409 ' CE1' ' ND2' ' A' ' 146' ' ' ASN . 66.2 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.554 0.216 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.793 ' H ' HG22 ' A' ' 143' ' ' THR . 11.3 m -113.23 160.59 18.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 7.8 p-10 -87.26 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 56.2 t -56.58 -38.17 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.549 ' HG2' HD12 ' A' ' 133' ' ' ILE . 5.6 tm0? -62.4 -59.52 4.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 1.9 tmm_? -58.66 -30.99 67.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -54.53 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.541 ' HB ' HD11 ' A' ' 133' ' ' ILE . 20.4 m -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.805 HD13 HG21 ' A' ' 133' ' ' ILE . 5.1 tp -51.14 -45.59 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.559 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 25.0 t60 -52.47 -27.73 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -82.9 -22.9 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.745 HD12 ' H ' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -67.81 -43.23 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.2 t80 -39.69 -28.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.14 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.427 ' HA ' ' NE ' ' A' ' 124' ' ' ARG . 25.3 tt0 179.6 105.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.517 ' HB2' HD13 ' A' ' 118' ' ' ILE . 1.2 m-20 -165.85 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.745 ' H ' HD12 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -142.71 41.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.668 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 16.7 mtm180 -58.83 -41.47 88.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.97 -49.87 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 125' ' ' PRO . 16.0 m -38.4 92.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.2 tmtp? -45.33 -39.52 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 131' ' ' ILE . 1.8 mm-40 -58.7 -51.3 70.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -44.51 -49.08 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 1.041 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -50.35 -37.82 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 128' ' ' GLU . 3.8 mt -84.41 -25.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.624 HG22 ' OE1' ' A' ' 136' ' ' GLN . 62.4 m -59.95 -48.95 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.805 HG21 HD13 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -68.6 -55.49 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.528 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.3 OUTLIER -49.95 -33.6 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.19 -25.4 27.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.624 ' OE1' HG22 ' A' ' 132' ' ' THR . 0.4 OUTLIER -75.82 -18.46 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.61 HD22 ' C ' ' A' ' 136' ' ' GLN . 2.5 mm? -138.59 22.78 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.574 ' O ' HD23 ' A' ' 139' ' ' LEU . . . 172.24 -117.36 0.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER 174.47 -34.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.97 160.01 28.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 141' ' ' LEU . 0.6 OUTLIER -88.17 1.54 54.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -57.06 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.793 HG22 ' H ' ' A' ' 108' ' ' THR . 18.0 p -51.37 -49.5 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.561 HG21 ' HG3' ' A' ' 130' ' ' GLN . 55.9 t -42.74 -48.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.85 -40.93 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 143' ' ' THR . 54.2 t-20 -43.64 -51.2 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 119' ' ' PHE . 0.8 OUTLIER -84.76 -66.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.538 ' CD1' HG13 ' A' ' 144' ' ' VAL . 4.5 m-85 -35.5 -33.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.486 ' HE2' ' HB3' ' A' ' 149' ' ' MET . 0.3 OUTLIER -90.45 -47.0 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.35 -43.92 98.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.551 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -81.23 -47.95 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.569 HG21 ' CE2' ' A' ' 66' ' ' TRP . 7.9 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER 80.84 169.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.5 ' C ' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -102.83 -37.24 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -100.46 -44.98 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 1.6 mt-10 -63.99 -21.5 66.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 13' ' ' ALA . 13.3 p -69.39 -57.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -48.39 -56.53 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -37.99 86.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 16.1 mtt-85 -56.13 -44.22 78.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.739 HG21 ' HG2' ' A' ' 65' ' ' MET . 4.5 mt -53.44 -62.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 23' ' ' TYR . 5.0 m -55.8 -55.41 32.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 22' ' ' ARG . 26.1 m -59.06 -20.33 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 2.1 tt0 -94.17 -17.12 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.764 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.6 mp -91.19 -93.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -89.41 -0.74 57.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 87.31 -26.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 163.79 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -174.63 61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.764 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.6 tp -81.81 138.85 46.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.4 Cg_endo -75.01 82.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.644 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.12 -30.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -59.5 -53.03 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -75.25 -49.12 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.3 t80 -58.27 -11.74 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -89.0 -43.71 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.93 0.49 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.442 ' CD ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -78.21 -68.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.39 -75.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -104.68 153.04 21.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.02 -50.26 74.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.649 ' CB ' HG21 ' A' ' 41' ' ' THR . 22.1 mtt180 -59.67 142.47 52.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 34.3 m -156.32 -179.08 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 73.48 40.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.28 34.46 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.649 HG21 ' CB ' ' A' ' 37' ' ' ARG . 2.1 t -48.07 -39.45 20.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.91 HD13 ' SD ' ' A' ' 65' ' ' MET . 0.9 OUTLIER -44.54 -43.04 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -38.32 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 6.5 t70 -61.07 -56.57 19.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.056 HD13 HD21 ' A' ' 55' ' ' LEU . 2.7 pp -63.77 -23.33 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.694 HD11 ' HE1' ' A' ' 62' ' ' PHE . 16.3 mt -80.58 2.77 24.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.1 tpt180 -29.38 -46.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -66.9 122.29 81.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -149.46 135.55 10.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.88 5.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 61.16 64.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.48 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 1.2 t -68.67 -44.57 73.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.596 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 46.91 32.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.056 HD21 HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER 39.12 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -19.86 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.7 m -113.34 36.78 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.33 60.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -39.28 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.27 -43.71 74.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.9 m -50.78 -62.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.969 ' CD1' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -40.45 -43.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.466 ' CG ' ' HE3' ' A' ' 67' ' ' LYS . 15.9 ttm180 -70.35 -55.0 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.537 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -37.83 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.91 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -73.39 -54.88 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 3.7 m0 -52.05 -24.46 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HE3' ' CG ' ' A' ' 63' ' ' ARG . 9.0 mmtt -66.87 -52.68 40.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CZ3' ' HG ' ' A' ' 20' ' ' LEU . 1.2 t90 -42.6 -52.77 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 20' ' ' LEU . 4.8 mt -41.66 -54.79 3.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -72.34 -74.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.6 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.521 0.201 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.594 ' HB ' HD13 ' A' ' 137' ' ' LEU . 16.9 m -114.01 165.99 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -84.67 -47.66 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.21 -53.48 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.941 ' CG ' HD22 ' A' ' 137' ' ' LEU . 0.5 OUTLIER -51.38 -60.77 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -45.89 -23.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.557 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 4.6 ttp180 -86.66 -33.5 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.568 HG21 HG12 ' A' ' 133' ' ' ILE . 49.7 m -68.11 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.789 HD13 HG21 ' A' ' 133' ' ' ILE . 7.0 tp -54.68 -44.26 73.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.629 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 75.0 t60 -56.94 -27.33 60.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -77.11 -20.23 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 124' ' ' ARG . 1.1 tp -75.81 -43.79 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 1.0 OUTLIER -37.71 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 118' ' ' ILE . 22.8 mmtt -59.3 -72.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 171.64 102.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.21 -53.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -164.86 36.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.519 ' HA ' HG23 ' A' ' 118' ' ' ILE . 4.4 mtp180 -36.52 -52.18 1.85 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.632 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.4 Cg_endo -74.98 -95.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 125' ' ' PRO . 1.9 m 18.4 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -45.51 -28.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.2 OUTLIER -68.79 -36.82 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 1.004 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -61.94 -57.83 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 1.004 ' N ' HD13 ' A' ' 129' ' ' LEU . 3.3 tt0 -45.96 -31.87 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 22.5 mm -90.54 -26.46 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 27.8 m -57.99 -35.79 71.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.858 HD11 ' HA ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -86.56 -54.32 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.496 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.8 OUTLIER -53.78 -31.41 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.519 ' CG ' ' O ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -83.83 -29.9 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -53.92 -42.7 69.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.941 HD22 ' CG ' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -92.9 -40.83 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 139' ' ' LEU . . . -152.98 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.439 ' HB3' ' O ' ' A' ' 138' ' ' GLY . 3.7 pp 178.53 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.84 147.59 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.0 pp -82.89 1.04 41.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -55.2 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.832 HG21 HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -55.76 -48.13 75.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.725 HG22 ' CD2' ' A' ' 115' ' ' LEU . 17.3 t -46.66 -51.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -48.44 -44.6 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.79 -49.53 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' PHE . . . . . 0.711 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.7 t80 -88.53 -67.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.584 ' CD1' HG13 ' A' ' 144' ' ' VAL . 2.0 m-85 -34.53 -37.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.1 OUTLIER -78.61 -55.27 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -47.51 84.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.711 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -75.4 -70.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.668 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 3.5 mp -98.15 89.49 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.51 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -89.63 -168.83 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 3.0 m -101.34 -56.51 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -88.67 -31.73 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.82 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.584 ' O ' HD12 ' A' ' 16' ' ' ILE . 1.2 p -72.36 -41.21 65.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -65.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.89 -30.19 57.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.568 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.62 -60.23 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.72 ' O ' HD22 ' A' ' 20' ' ' LEU . 4.2 mt -38.05 -37.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 23' ' ' TYR . 18.1 m -67.84 -51.46 48.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' ARG . 23.8 m -82.8 0.76 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.43 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.858 ' HG2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -90.78 -48.83 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.793 HD23 HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -64.24 -82.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -88.07 -73.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 176.89 -33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 3.9 m-85 -179.04 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.72 66.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.793 HD13 HD23 ' A' ' 20' ' ' LEU . 1.1 tp -58.07 134.33 84.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.05 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 3.6 mp0 -39.38 -41.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -54.46 -63.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 79' ' ' ALA . 1.5 mp -57.07 -56.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.772 ' CD2' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -55.42 -15.61 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.783 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -91.24 -33.94 15.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -88.39 -3.78 58.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.644 ' NE ' ' CZ2' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -90.84 -77.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.8 -67.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.772 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -58.89 166.93 1.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.783 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -93.42 -47.51 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.15 99.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -171.11 132.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 3.0 tm0? -109.78 69.46 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 100.65 32.62 5.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.652 HG22 ' HE1' ' A' ' 65' ' ' MET . 0.1 OUTLIER -40.01 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.643 ' CD1' HD13 ' A' ' 16' ' ' ILE . 30.9 mt -64.15 -54.76 28.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -62.3 -12.8 22.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 41' ' ' THR . 5.5 t70 -90.23 -46.84 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.944 HD12 ' HG ' ' A' ' 55' ' ' LEU . 2.3 tm? -71.69 -23.58 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -80.78 1.05 32.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' LEU . 4.1 tpp180 -36.43 -45.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' LEU . 6.5 p30 -78.4 151.96 78.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -153.52 102.47 2.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.59 15.59 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.2 m0 58.69 39.26 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -67.47 -14.01 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.971 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 30.72 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.944 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER 37.59 86.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -28.81 69.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -61.99 -68.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.18 86.68 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -38.04 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.44 -34.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.484 HG22 HD21 ' A' ' 42' ' ' LEU . 19.9 m -58.66 -64.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.749 ' CE2' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.32 -51.17 11.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ARG . 5.0 ttm-85 -56.03 -58.8 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' ARG . 22.9 mmt180 -35.94 -38.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.652 ' HE1' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -72.67 -55.03 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.668 ' CZ3' HG21 ' A' ' 7' ' ' ILE . 5.3 m0 -51.78 -26.89 10.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -65.3 -53.24 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.644 ' CZ2' ' NE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -43.72 -56.87 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.858 HD13 ' HG2' ' A' ' 19' ' ' GLU . 3.5 mt -56.05 -45.04 79.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 71' ' ' GLU . 4.4 mm100 -61.05 -72.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER 59.24 151.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 74' ' ' PHE . 18.4 Cg_endo -74.98 49.61 2.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 72' ' ' PRO . 7.0 mt-10 34.76 35.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' PRO . 1.2 t80 177.65 68.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -168.19 49.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -98.88 26.55 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mtt -155.82 22.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -65.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 32' ' ' GLN . . . -79.07 131.64 36.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.28 125.6 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.496 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -108.5 151.22 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 81' ' ' ARG . 0.2 OUTLIER -179.06 -157.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.644 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -80.49 -177.66 6.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 83' ' ' ALA . . . 80.99 -176.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.6 t 55.88 71.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.23 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -173.12 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -57.42 -178.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.44 76.54 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.28 81.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -42.2 -62.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 70.3 -64.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 93' ' ' GLY . 44.6 m-70 63.29 135.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.603 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' HIS . . . -56.28 -111.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 t0 174.74 160.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.48 159.66 14.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.21 -150.29 7.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.36 165.82 29.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 6.7 t -115.11 145.9 35.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 99' ' ' THR . 18.1 Cg_endo -75.01 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.74 -178.4 3.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -56.81 141.53 74.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 102' ' ' LYS . 18.5 Cg_endo -74.91 175.35 11.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -170.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.68 98.2 6.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 107' ' ' PHE . 12.4 t -132.4 -73.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.654 ' CD1' ' ND2' ' A' ' 146' ' ' ASN . 0.1 OUTLIER 38.46 94.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.841 HG22 HG12 ' A' ' 110' ' ' VAL . 52.8 m -109.22 137.7 46.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.26 -59.08 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.841 HG12 HG22 ' A' ' 108' ' ' THR . 11.7 p -44.89 -36.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 1.05 ' NE2' HG21 ' A' ' 143' ' ' THR . 34.8 mt-30 -73.52 -57.96 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 6.4 ttp180 -51.01 -26.13 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -70.74 -46.12 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.525 ' CG2' HG12 ' A' ' 133' ' ' ILE . 32.8 m -61.08 -60.87 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 144' ' ' VAL . 4.6 tp -55.94 -43.26 77.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.551 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 2.7 t-80 -47.3 -34.86 7.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.72 -35.63 70.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -56.34 -29.12 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 2.4 t80 -49.29 -27.5 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -126.61 55.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.823 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -130.02 -90.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 121' ' ' GLU . 6.6 t-20 175.91 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.976 ' HB3' HD13 ' A' ' 129' ' ' LEU . 5.5 mttm -88.44 31.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.644 ' HA ' HG23 ' A' ' 118' ' ' ILE . 1.7 mtm105 -47.52 -49.19 56.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.03 -91.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 25.76 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 84' ' ' ALA . 0.4 OUTLIER -48.85 -25.71 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.36 -38.73 63.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.976 HD13 ' HB3' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -65.96 -56.43 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.784 ' N ' HD23 ' A' ' 129' ' ' LEU . 3.6 pt20 -46.33 -34.6 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 131' ' ' ILE . 16.1 mm -84.64 -27.59 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.6 m -62.87 -38.28 90.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -78.87 -50.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.628 ' HA ' HE21 ' A' ' 111' ' ' GLN . 0.3 OUTLIER -56.62 -31.58 64.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -14.49 33.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -61.63 -59.57 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.492 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.3 mp -116.47 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -142.96 -134.4 2.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.3 OUTLIER -171.92 -41.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.29 168.41 16.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 0.3 55.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.2 t -50.38 -55.21 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . 1.05 HG21 ' NE2' ' A' ' 111' ' ' GLN . 60.8 p -49.4 -53.82 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.758 ' HA ' HD23 ' A' ' 115' ' ' LEU . 74.9 t -41.16 -49.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.35 -42.99 92.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 107' ' ' PHE . 4.8 t-20 -41.16 -47.99 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.609 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -87.54 -66.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.656 ' CE1' HG13 ' A' ' 144' ' ' VAL . 10.2 m-85 -36.76 -30.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.4 tmm? -84.84 -52.3 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -63.21 -46.71 85.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.596 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -79.15 -78.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.566 ' C ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 12' ' ' VAL . 1.6 mp -142.5 106.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.514 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 3.3 m120 -79.24 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 10' ' ' LYS . 11.1 t -100.58 -54.34 2.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.604 ' HG3' HD12 ' A' ' 46' ' ' LEU . 11.6 tttt -92.01 -30.24 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.724 HG21 HG23 ' A' ' 7' ' ' ILE . 9.9 p -78.35 -39.27 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -56.18 -66.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -54.89 -29.13 55.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -67.78 -52.49 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.01 HD13 HD12 ' A' ' 42' ' ' LEU . 5.4 mt -41.68 -43.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -66.5 -52.47 45.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.4 m -73.95 -1.86 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 15' ' ' ARG . 2.6 mm-40 -91.06 -58.53 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.781 HD22 ' O ' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -53.34 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -90.81 -67.45 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 165.74 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.7 m-85 176.11 36.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.73 53.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.644 HD13 HD23 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.14 138.9 91.38 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 80.45 2.43 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.609 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -46.14 -24.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -41.84 78.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -83.32 -50.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.531 ' CD1' HD11 ' A' ' 25' ' ' ILE . 22.8 t80 -58.14 -12.93 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.92 -43.27 10.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -90.77 1.48 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 78' ' ' SER . 0.0 OUTLIER -82.81 -70.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.743 HG13 ' H ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -123.43 -79.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.743 ' H ' HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -93.58 147.83 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.36 -43.96 96.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.896 ' HB3' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -59.55 147.58 36.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.527 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 m -160.84 -178.65 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 72.19 42.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 53.44 27.66 34.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.896 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -39.09 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.423 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.01 HD12 HD13 ' A' ' 16' ' ' ILE . 39.0 mt -49.28 -42.55 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 1.1 t -66.92 -24.4 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.0 t70 -80.3 -55.76 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.974 HD13 HD11 ' A' ' 55' ' ' LEU . 1.1 pp -65.01 -17.66 64.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.71 -5.61 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -33.27 -38.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' LEU . 44.6 t30 -69.89 122.44 86.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.31 2.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.439 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.67 122.28 1.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 127.77 10.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.0 m0 57.19 39.42 28.84 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -49.53 -54.59 17.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 74.58 30.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.974 HD11 HD13 ' A' ' 45' ' ' LEU . 2.4 mm? 39.69 64.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -41.25 -46.02 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 m -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -149.11 74.93 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' GLY . 4.4 tmm_? -38.88 -31.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -47.77 -35.55 10.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 m -58.74 -63.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.878 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.6 -47.9 14.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -60.5 -56.68 18.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.642 ' HB2' HD23 ' A' ' 35' ' ' LEU . 1.1 mtp85 -38.64 -39.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.818 ' HG3' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -72.78 -49.35 31.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.567 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 8.8 m0 -58.25 -27.49 64.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -63.57 -51.98 62.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.613 ' HZ2' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -45.51 -60.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.034 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.9 mt -39.36 -45.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -82.3 -86.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER 60.32 143.89 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -75.0 53.42 3.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER 175.52 128.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -41.18 -66.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' NE2' ' CH2' ' A' ' 68' ' ' TRP . 3.0 tp60 -177.72 36.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -138.29 51.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -40.29 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 33' ' ' ARG . 20.2 m -145.48 -69.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.613 ' HB2' ' HZ2' ' A' ' 68' ' ' TRP . . . -39.01 144.19 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tt -160.02 127.75 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.93 150.0 46.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 84' ' ' ALA . 2.1 tt -176.36 142.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.77 102.1 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.625 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -159.81 -168.42 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.9 m 65.99 -77.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER 65.11 100.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.28 137.47 41.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -74.56 -61.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -73.54 149.82 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.1 -69.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 55.53 99.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.8 179.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.03 -169.17 1.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 95' ' ' ASP . 5.2 ttpt -40.96 144.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 11.3 t70 -160.13 168.99 24.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -156.3 171.31 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 168.08 158.58 12.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.045 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 175.42 166.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.323 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.751 HG23 ' HD2' ' A' ' 100' ' ' PRO . 2.5 m -161.37 146.56 10.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.751 ' HD2' HG23 ' A' ' 99' ' ' THR . 18.4 Cg_endo -75.02 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.11 164.21 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.93 133.99 19.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -177.46 3.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.53 -169.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' C ' HG12 ' A' ' 106' ' ' VAL . 6.4 tp -147.87 117.91 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.822 HG22 ' N ' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -173.37 -90.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.822 ' N ' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER 52.43 123.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.781 HG22 HG12 ' A' ' 110' ' ' VAL . 1.2 m -110.26 149.39 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -26.13 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.781 HG12 HG22 ' A' ' 108' ' ' THR . 7.5 p -75.84 -42.55 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.792 ' O ' HD11 ' A' ' 133' ' ' ILE . 51.9 mt-30 -71.82 -56.35 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -51.37 -29.94 17.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 112' ' ' ARG . 8.3 ttt-85 -66.2 -42.34 88.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.531 ' HB ' HD11 ' A' ' 133' ' ' ILE . 25.4 m -65.25 -58.86 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.89 ' CD2' HG22 ' A' ' 144' ' ' VAL . 6.1 tp -58.22 -43.86 87.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.585 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 43.0 t60 -45.54 -39.94 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.593 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.73 -35.88 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -56.79 -25.98 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.546 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 5.8 t80 -50.75 -19.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.41 62.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.742 ' CB ' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -134.76 -75.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 163.08 -28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.869 ' HB3' HD13 ' A' ' 129' ' ' LEU . 8.0 mttp -92.25 28.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 12.0 mtm180 -46.14 -49.28 41.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.02 -91.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.541 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.9 m 27.98 80.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -39.69 -37.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.92 -58.02 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.947 HD11 HG13 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -41.13 -56.32 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.661 ' CG ' ' CZ ' ' A' ' 148' ' ' PHE . 10.4 mt-30 -43.39 -44.41 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.08 -26.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 129' ' ' LEU . 22.5 m -61.46 -49.71 75.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.792 HD11 ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -65.42 -52.17 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -52.97 -59.02 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -12.44 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.851 ' HB3' HD22 ' A' ' 137' ' ' LEU . 1.4 tt0 -64.72 -60.55 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.6 OUTLIER -112.93 12.77 19.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -156.18 -138.2 2.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -176.65 35.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 134' ' ' SER . 0.1 OUTLIER -160.05 152.19 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.89 -3.49 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.719 ' HB2' HG13 ' A' ' 106' ' ' VAL . 83.4 p -39.46 -50.95 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.675 HG21 ' HB3' ' A' ' 111' ' ' GLN . 4.3 t -70.3 -51.09 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.89 HG22 ' CD2' ' A' ' 115' ' ' LEU . 28.9 t -39.54 -49.09 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.74 -44.54 96.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' THR . 4.8 t30 -43.99 -45.92 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.595 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -84.99 -71.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.661 ' CZ ' ' CG ' ' A' ' 130' ' ' GLN . 9.6 m-85 -36.76 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -88.68 -44.28 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 147' ' ' PHE . 26.1 t30 -69.64 -49.43 53.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.591 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -75.57 -60.75 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.82 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.0 tp -91.82 21.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 59.96 106.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.681 HG23 ' HZ ' ' A' ' 62' ' ' PHE . 1.4 m -65.15 -59.77 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -41.26 74.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -76.87 -21.22 55.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.975 HG11 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -67.79 -66.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.656 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -45.87 -49.61 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.82 -29.06 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.602 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.76 -59.32 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.912 HG21 ' SD ' ' A' ' 65' ' ' MET . 3.1 mt -57.03 -17.08 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.4 m -82.94 -49.65 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 m -90.23 -4.72 57.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' ARG . 6.4 mm-40 -91.36 -47.15 7.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.826 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.4 mp -63.23 -89.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 16.0 tttp -89.82 -57.39 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 163.45 -27.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.886 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER 174.3 36.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 162.87 75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.826 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -70.52 140.7 87.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.98 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.607 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -43.03 -26.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -60.84 -44.24 97.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -75.19 -50.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -63.62 -9.81 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.68 -34.43 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -92.61 -14.88 27.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' NE ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.12 -84.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 35' ' ' LEU . 4.5 m -123.29 -52.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 22.9 mt -71.79 172.42 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.574 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 17.3 p -100.94 -35.8 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.72 89.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.2 m -162.79 142.18 9.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.561 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.0 pt20 -130.01 76.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.85 23.03 70.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -42.35 -39.8 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.914 HD23 ' CG1' ' A' ' 12' ' ' VAL . 2.6 tp -36.36 -40.25 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.646 ' CB ' ' HB1' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -70.5 -52.7 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' THR . 1.1 t70 -50.49 -55.93 13.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.839 HD13 HD21 ' A' ' 55' ' ' LEU . 4.4 pp -62.76 -22.71 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.693 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 20.7 mt -87.64 1.5 53.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -35.52 -41.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' LEU . 6.1 p30 -75.29 142.65 75.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.7 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.35 104.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.31 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.8 m0 61.92 51.32 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' LYS . 22.6 t -89.46 -41.83 11.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 38.24 39.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 45' ' ' LEU . 17.6 mt 39.77 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.43 -30.83 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.2 m -60.46 -52.61 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -140.6 81.02 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -24.12 48.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.78 -37.73 68.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 m -58.67 -64.38 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.975 ' CE2' HG11 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -44.19 -36.81 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 66' ' ' TRP . 6.4 mtp180 -64.42 -52.1 59.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.546 ' HB3' HD21 ' A' ' 35' ' ' LEU . 77.5 mtt-85 -42.08 -39.03 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.912 ' SD ' HG21 ' A' ' 16' ' ' ILE . 5.0 mmt -65.0 -61.0 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 63' ' ' ARG . 1.9 m0 -42.85 -42.05 3.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' GLU . 3.1 mttt -47.11 -60.55 2.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.2 t90 -44.41 -57.49 3.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.643 HD21 HG23 ' A' ' 16' ' ' ILE . 5.0 mt -44.2 -44.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -77.44 -76.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' OE2' ' NE ' ' A' ' 33' ' ' ARG . 81.8 tt0 71.98 132.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -75.0 52.23 3.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 72' ' ' PRO . 7.7 mp0 59.95 130.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.401 ' CB ' ' OE2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER 179.3 -57.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 16.3 pt20 -135.78 -48.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' N ' ' CG ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER 35.7 49.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.459 ' HB3' ' CB ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -150.02 38.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . 89.2 p 54.12 81.25 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.94 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' SER . . . 39.46 80.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 77' ' ' MET . 0.6 OUTLIER -115.73 56.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -138.83 140.57 38.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.666 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 3.2 mm? -47.09 165.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . 81.92 151.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.98 179.15 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.04 173.8 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.336 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 103.77 8.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -77.94 155.96 30.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -174.57 137.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.23 130.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.8 121.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -138.98 77.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -175.26 80.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.6 -167.11 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt 63.43 135.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.02 132.09 34.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.42 -61.01 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.74 -172.04 22.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -137.41 153.84 50.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.694 HG23 ' HD2' ' A' ' 100' ' ' PRO . 3.7 m -114.42 145.8 34.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.694 ' HD2' HG23 ' A' ' 99' ' ' THR . 18.3 Cg_endo -75.02 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -146.76 162.89 37.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' LYS . 18.6 tttm -39.56 99.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -74.98 72.13 4.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.45 174.7 5.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.34 104.81 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.662 HG23 HG23 ' A' ' 143' ' ' THR . 9.9 m -97.39 -42.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 106' ' ' VAL . 0.3 OUTLIER 36.08 89.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.781 HG21 ' OE1' ' A' ' 111' ' ' GLN . 39.3 m -111.48 141.35 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 -27.93 34.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.427 ' H ' HG22 ' A' ' 108' ' ' THR . 40.5 t -69.41 -42.72 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.781 ' OE1' HG21 ' A' ' 108' ' ' THR . 0.8 OUTLIER -73.0 -58.12 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -46.25 -26.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -75.05 -43.37 53.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.52 ' HB ' HD11 ' A' ' 133' ' ' ILE . 63.2 m -64.13 -59.46 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.428 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.85 HD13 HG21 ' A' ' 133' ' ' ILE . 5.0 tp -56.49 -45.53 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 9.8 t-80 -45.32 -39.0 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.14 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.98 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -60.87 -18.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.557 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 8.1 t80 -53.14 -19.06 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.78 68.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.864 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -135.38 -79.87 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 176.59 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.948 ' HB3' HD13 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -89.45 23.21 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.513 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 1.9 mtm180 -35.42 -55.48 1.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.614 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -74.93 -91.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 30.59 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.919 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -50.58 -29.3 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.96 -27.27 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.98 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -75.11 -50.12 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.545 ' N ' HD23 ' A' ' 129' ' ' LEU . 2.2 pt20 -52.91 -32.69 46.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.919 HD12 ' O ' ' A' ' 127' ' ' LYS . 7.0 mt -85.4 -22.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 129' ' ' LEU . 6.9 m -68.56 -47.0 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.85 HG21 HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.33 -47.41 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 139' ' ' LEU . 0.8 OUTLIER -62.85 -36.16 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.441 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 1.0 OUTLIER -82.49 -10.83 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -73.72 -50.56 20.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.402 ' O ' ' CD ' ' A' ' 111' ' ' GLN . 0.7 OUTLIER -127.02 31.02 5.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -165.12 -120.52 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.8 OUTLIER 168.46 -37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.4 ' HG2' HD12 ' A' ' 139' ' ' LEU . 23.2 mm-40 -81.04 172.27 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -94.81 0.47 54.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.539 ' CB ' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -53.25 -60.04 3.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.663 HG21 ' NE2' ' A' ' 111' ' ' GLN . 56.0 p -44.83 -54.08 6.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' A' ' 115' ' ' LEU . 77.8 t -40.87 -48.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.9 -43.02 95.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 34.1 t-20 -40.13 -46.24 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.62 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.08 -66.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.62 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 9.9 m-85 -36.71 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.0 tmm? -85.16 -52.54 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.47 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.586 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -80.14 -65.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.623 ' C ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.623 HD12 ' C ' ' A' ' 6' ' ' GLU . 1.4 mp -156.5 -62.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER 81.65 169.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.468 HG21 ' N ' ' A' ' 52' ' ' TRP . 4.7 t -102.01 -37.59 8.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -42.55 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -26.87 68.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG21 ' HE1' ' A' ' 66' ' ' TRP . 10.1 p -65.18 -59.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -43.12 -49.28 6.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -53.93 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -46.27 -43.62 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.591 HD11 HG22 ' A' ' 12' ' ' VAL . 7.2 mt -54.51 -44.26 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.7 m -73.01 -54.59 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 85.0 m -61.3 -20.73 63.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.616 ' OE1' HD13 ' A' ' 69' ' ' LEU . 21.6 tt0 -89.17 -50.54 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HB3' HD13 ' A' ' 25' ' ' ILE . 4.1 mp -56.12 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -62.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 167.87 -27.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.28 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.765 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER 175.27 36.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER 163.99 76.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.772 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -66.29 140.21 96.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.642 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.04 92.57 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.89 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -51.42 -51.74 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.576 HG23 ' CB ' ' A' ' 79' ' ' ALA . 1.5 mp -75.34 -51.39 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.73 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -51.14 -18.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -91.12 -35.86 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -84.54 -5.85 59.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -91.44 -77.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.31 -61.37 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 30' ' ' PHE . 27.0 mt -58.66 172.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.809 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -100.2 -43.0 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -170.26 94.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.488 ' OG ' HD13 ' A' ' 35' ' ' LEU . 4.6 p -170.96 136.19 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.47 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 14.9 pm0 -115.59 59.34 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.6 35.43 4.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.486 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -48.51 -27.46 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.409 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.846 HD21 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -56.4 -53.75 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.563 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -66.14 -43.47 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 21.2 t70 -53.82 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 55' ' ' LEU . 4.1 pp -61.39 -26.16 67.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.781 HD11 ' HE1' ' A' ' 62' ' ' PHE . 28.4 mt -84.63 2.39 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 11.9 ptt180 -37.55 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LEU . 8.6 p30 -89.13 145.75 34.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 119.73 5.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -155.73 105.62 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.57 13.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.468 ' N ' HG21 ' A' ' 9' ' ' THR . 9.9 m0 51.11 64.05 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -89.71 -44.54 9.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.39 43.22 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER 43.77 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.21 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -60.19 3.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.68 99.77 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.69 -31.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.88 -41.41 11.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.542 HG22 HD12 ' A' ' 42' ' ' LEU . 3.5 m -58.3 -60.0 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.846 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -42.21 -30.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 110.95 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -46.38 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HB3' HD21 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.87 -33.1 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.755 ' HG2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -73.11 -58.12 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.66 ' HE1' HG21 ' A' ' 12' ' ' VAL . 3.2 m0 -51.06 -27.77 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.8 mmmt -60.28 -58.96 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 1.4 t90 -47.95 -51.32 24.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.616 HD13 ' OE1' ' A' ' 19' ' ' GLU . 1.7 mt -51.37 -48.27 62.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -49.84 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -40.83 161.58 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.09 81.54 2.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.559 ' O ' ' CG ' ' A' ' 74' ' ' PHE . 6.2 tm-20 -65.04 78.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 9.4 m-85 -176.03 -35.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 74' ' ' PHE . 8.3 pt20 -34.27 -51.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 78' ' ' SER . 4.3 mtt85 -153.03 31.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.33 -59.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 76' ' ' ARG . 69.8 p -137.18 79.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.576 ' CB ' HG23 ' A' ' 29' ' ' ILE . . . 54.91 176.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.86 92.83 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 175.77 160.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.617 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -151.53 170.54 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.684 ' HB1' ' HB2' ' A' ' 127' ' ' LYS . . . 168.91 -64.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' ALA . . . 173.24 -61.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.1 m 64.59 87.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 108.275 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.88 157.27 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 70.47 111.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.31 147.19 46.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.05 158.53 35.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -113.02 85.28 2.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.59 62.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 64.27 139.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.567 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.444 ' N ' ' OD2' ' A' ' 44' ' ' ASP . . . -62.82 -96.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 117.25 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.24 149.7 10.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.54 105.54 15.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.66 158.58 29.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -143.32 169.87 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 3.5 t -135.0 147.04 61.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.366 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 99' ' ' THR . 18.2 Cg_endo -75.06 -171.14 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -145.86 165.56 28.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.68 110.72 6.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 107.58 2.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -94.14 -178.71 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.95 101.41 7.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.527 HG12 HG22 ' A' ' 143' ' ' THR . 95.7 t -122.91 -85.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 106' ' ' VAL . 24.0 m-85 50.31 103.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' A' ' 111' ' ' GLN . 2.5 m -114.88 157.04 23.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -79.08 -52.3 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.618 HG12 ' HG ' ' A' ' 137' ' ' LEU . 86.7 t -60.75 -43.61 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.831 ' O ' HD11 ' A' ' 133' ' ' ILE . 11.3 tm0? -59.34 -61.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -58.77 -24.08 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -71.8 -34.23 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.583 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 51.9 m -73.77 -58.9 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.01 HD13 HG21 ' A' ' 133' ' ' ILE . 2.2 tp -56.81 -39.46 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.579 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 65.1 t60 -58.74 -33.57 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.39 -20.59 36.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.615 HG22 ' HG3' ' A' ' 124' ' ' ARG . 1.8 mm -67.27 -51.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.582 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 4.8 t80 -36.88 -34.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 21.5 mmtt -55.58 -65.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.2 OUTLIER 165.6 106.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -162.76 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.456 ' H ' HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -140.41 22.42 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.615 ' HG3' HG22 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -47.87 -48.94 60.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.05 66.23 6.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.4 m -167.64 106.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.684 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -57.25 -36.68 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.81 -42.45 94.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.853 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -53.82 -52.25 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.853 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.5 OUTLIER -46.12 -42.94 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 127' ' ' LYS . 3.8 mt -80.03 -24.0 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' LEU . 63.1 m -66.77 -46.08 76.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 1.01 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -67.36 -36.39 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 138' ' ' GLY . 7.9 p -69.74 -39.77 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 135' ' ' GLN . 4.6 tm0? -82.38 -11.52 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.46 ' OE1' ' CD2' ' A' ' 137' ' ' LEU . 10.5 tt0 -83.23 -28.98 28.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.618 ' HG ' HG12 ' A' ' 110' ' ' VAL . 2.2 mm? -127.59 7.1 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -170.29 -119.36 0.5 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.505 HD12 ' OE1' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -179.85 -40.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.505 ' OE1' HD12 ' A' ' 139' ' ' LEU . 0.5 OUTLIER -77.34 152.54 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 0.17 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.405 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.5 OUTLIER -52.33 -52.1 55.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.527 HG22 HG12 ' A' ' 106' ' ' VAL . 44.3 p -57.3 -51.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.746 HG11 ' CG ' ' A' ' 130' ' ' GLN . 65.4 t -40.08 -48.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 146' ' ' ASN . 0.3 OUTLIER -57.87 -46.63 84.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 143' ' ' THR . 21.0 t-20 -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -89.12 -72.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.64 ' CD1' HG13 ' A' ' 144' ' ' VAL . 7.5 m-85 -30.46 -40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -78.03 -51.86 9.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' PHE . 31.6 t30 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.642 ' HB2' ' CD1' ' A' ' 147' ' ' PHE . . . -64.43 -65.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 148' ' ' PHE . 17.0 ttt-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.889 HG23 HG21 ' A' ' 12' ' ' VAL . 3.0 mp 55.13 101.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -169.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 10' ' ' LYS . 10.1 t -100.29 -55.02 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.533 ' N ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -96.93 -24.71 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -76.38 -25.27 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.889 HG21 HG23 ' A' ' 7' ' ' ILE . 7.2 p -78.0 -54.6 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.566 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -44.36 -54.11 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -48.8 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -50.89 -42.09 58.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.946 HG21 ' SD ' ' A' ' 65' ' ' MET . 4.4 mt -53.64 -44.02 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 23' ' ' TYR . 16.3 m -74.52 -54.08 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.32 -22.27 60.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 5.3 mm-40 -90.52 -45.47 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.808 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.6 mp -53.29 -88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -86.74 -57.77 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 5.6 ptm180 163.71 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 172.51 37.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.7 m 162.79 75.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.808 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -68.97 140.66 91.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.577 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.01 97.02 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -37.91 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -55.35 -51.41 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.5 HG13 ' HB1' ' A' ' 79' ' ' ALA . 2.1 mp -71.63 -42.49 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -66.22 -6.67 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -90.73 -45.44 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 78' ' ' SER . 11.0 tp60 -90.77 0.05 57.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' NH1' ' CZ2' ' A' ' 68' ' ' TRP . 18.7 mmm-85 -90.43 -76.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.886 HG13 ' H ' ' A' ' 35' ' ' LEU . 2.1 p -125.4 -73.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.886 ' H ' HG13 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -59.63 162.37 5.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 85.5 m -70.05 -52.43 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.61 99.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.4 ' HB2' ' HB ' ' A' ' 41' ' ' THR . 1.0 OUTLIER -170.74 149.61 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.27 72.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 38' ' ' SER . 0.7 OUTLIER -45.22 -37.07 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.407 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 61' ' ' THR . 0.2 OUTLIER -42.07 -54.07 3.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.47 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -60.57 -40.87 93.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.12 -59.08 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 55' ' ' LEU . 4.3 pp -61.6 -24.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.693 HD11 ' CE1' ' A' ' 62' ' ' PHE . 1.9 mt -81.38 0.66 36.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' LEU . 13.3 ttm180 -36.58 -44.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -73.03 143.14 83.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' O ' HG21 ' A' ' 9' ' ' THR . 4.9 mmtt -144.99 107.26 4.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.9 m0 47.57 49.41 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -46.34 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 66.96 37.01 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.821 HD12 ' HD1' ' A' ' 62' ' ' PHE . 1.2 mt 37.38 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -34.41 71.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 m -96.9 58.05 1.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.51 47.24 0.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -50.55 -30.61 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.31 -39.28 69.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.904 HG22 HD12 ' A' ' 42' ' ' LEU . 3.3 m -56.18 -62.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.863 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -39.63 -44.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 9.4 ttm180 -68.89 -50.59 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.475 ' HB3' HD11 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.34 -55.87 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.946 ' SD ' HG21 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -50.69 -50.89 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.783 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 17.7 m0 -48.89 -37.96 21.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -51.09 -52.42 43.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CZ2' ' NH1' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -45.71 -50.88 13.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 107.975 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 16' ' ' ILE . 12.3 mt -68.58 -29.77 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.526 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -74.95 1.88 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.567 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -129.62 55.91 21.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -75.04 -34.01 4.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -59.18 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.409 ' C ' ' N ' ' A' ' 76' ' ' ARG . 4.4 m-85 -37.42 -51.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.78 27.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 74' ' ' PHE . 3.7 mtt180 -174.64 53.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.79 -19.16 59.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -169.23 -63.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.5 ' HB1' HG13 ' A' ' 29' ' ' ILE . . . 39.53 79.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 88.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.65 132.19 40.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mp -141.23 153.78 45.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.76 108.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -174.04 162.26 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 128.03 14.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 108.301 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.89 156.3 39.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -104.38 122.86 46.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -108.47 128.64 54.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.11 83.6 2.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.35 169.12 11.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -111.74 -64.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -174.58 153.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.591 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.58 -175.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.08 124.49 22.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -121.99 -66.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.67 -63.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.64 -166.75 12.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -174.39 168.81 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 99' ' ' THR . 5.2 t -171.62 107.89 0.38 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.21 6.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.83 178.07 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.38 96.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.94 41.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.01 168.96 2.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.57 103.57 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 107' ' ' PHE . 2.7 t -123.22 -72.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.499 ' N ' HG12 ' A' ' 106' ' ' VAL . 67.4 m-85 36.79 92.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -106.38 156.47 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.0 p-10 -78.11 -51.75 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.455 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 38.2 t -55.17 -50.14 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.607 ' O ' HD11 ' A' ' 133' ' ' ILE . 44.8 mt-30 -59.47 -61.55 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.4 ttt180 -52.95 -25.57 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -72.27 -33.25 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.515 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 36.5 m -71.83 -60.04 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.465 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.765 HD13 HG21 ' A' ' 133' ' ' ILE . 4.0 tp -57.74 -43.42 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.607 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 5.3 t-80 -50.86 -39.05 52.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.16 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.991 HG12 HD11 ' A' ' 129' ' ' LEU . 0.7 OUTLIER -68.58 -35.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.577 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 1.1 t80 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -77.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 178.45 102.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -154.16 -70.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.939 ' HB3' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -145.96 23.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.532 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -31.4 -56.57 0.41 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.02 66.79 6.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 51.4 m -155.22 98.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.817 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -63.36 -26.3 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -72.27 -43.52 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.991 HD11 HG12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.44 -53.03 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.736 ' N ' HD23 ' A' ' 129' ' ' LEU . 2.4 pt20 -45.8 -40.29 9.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.817 HD12 ' O ' ' A' ' 127' ' ' LYS . 4.5 mt -80.23 -27.01 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.461 HG22 ' NE2' ' A' ' 136' ' ' GLN . 86.6 m -67.96 -38.28 82.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.765 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.73 -42.26 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.48 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 0.0 OUTLIER -64.55 -48.62 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -74.27 -19.24 60.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.461 ' NE2' HG22 ' A' ' 132' ' ' THR . 5.5 mt-30 -61.12 -56.39 21.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -111.33 13.68 21.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -156.85 -139.64 2.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 139' ' ' LEU . 0.4 OUTLIER -175.59 35.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 134' ' ' SER . 8.9 tp10 -157.46 148.33 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.62 -0.27 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.453 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.4 OUTLIER -50.25 -51.21 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 134' ' ' SER . 3.1 t -64.24 -46.07 85.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 130' ' ' GLN . 69.6 t -42.38 -47.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -64.92 -38.29 90.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 143' ' ' THR . 20.2 t-20 -42.02 -45.53 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.607 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -89.65 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.489 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 5.5 m-85 -38.33 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 147' ' ' PHE . 11.2 tmm? -85.47 -54.27 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.598 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -83.36 -60.82 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.401 ' CA ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.603 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 7.1 tp -98.08 24.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 13.6 m120 66.07 138.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.573 HG21 ' HA ' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -100.91 -42.18 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.4 -33.95 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -72.04 -21.92 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.748 HG21 ' NE1' ' A' ' 66' ' ' TRP . 9.9 p -75.86 -49.59 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB1' ' N ' ' A' ' 43' ' ' SER . . . -53.12 -64.18 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -54.8 -25.7 29.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.575 ' O ' ' N ' ' A' ' 19' ' ' GLU . 3.4 mtp180 -71.91 -60.48 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.785 HG21 ' SD ' ' A' ' 65' ' ' MET . 5.9 mt -38.72 -32.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 15' ' ' ARG . 18.5 m -72.68 -50.92 21.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' ARG . 18.4 m -84.09 0.41 48.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.575 ' N ' ' O ' ' A' ' 15' ' ' ARG . 3.4 mm-40 -91.72 -58.05 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.132 HD23 HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -57.21 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 9.7 tttp -85.02 -68.71 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 163.04 -29.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.5 m-85 178.41 35.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -174.56 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.132 HD13 HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.28 125.23 74.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.799 ' HG2' HD12 ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.05 87.9 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.76 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -62.62 -53.11 59.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.799 HD12 ' HG2' ' A' ' 26' ' ' PRO . 47.2 mt -58.18 -54.59 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -61.96 -12.87 20.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -89.61 -35.62 15.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -91.73 -6.14 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -90.07 -81.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -121.77 -63.02 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.58 HD12 ' CG ' ' A' ' 30' ' ' PHE . 25.4 mt -59.34 167.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 14.3 t -90.22 -49.7 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.19 100.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 p -170.3 126.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.643 ' HB2' HG23 ' A' ' 25' ' ' ILE . 12.1 pt20 -106.74 52.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 118.2 31.65 1.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.581 1.176 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.643 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.1 -28.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.383 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.75 HD12 ' CD1' ' A' ' 16' ' ' ILE . 8.6 mt -62.9 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 3.2 m -53.69 -34.65 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 41' ' ' THR . 35.5 t0 -55.2 -60.14 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -20.75 63.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' ASN . 5.3 mp -90.77 2.99 55.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.59 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' LEU . 16.5 p30 -75.18 129.18 83.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.39 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -146.86 128.77 7.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.573 ' HA ' HG21 ' A' ' 9' ' ' THR . 1.4 m-90 80.33 59.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.52 ' H ' HG21 ' A' ' 9' ' ' THR . 12.5 t -45.6 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.53 36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm? -89.67 43.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -100.06 -52.41 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -49.53 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.71 46.31 1.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' THR . 0.3 OUTLIER -60.36 -14.33 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -35.89 -35.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 62' ' ' PHE . 8.4 t -77.4 -53.82 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.67 ' HD1' HD22 ' A' ' 42' ' ' LEU . 1.2 m-30 -53.07 -38.81 62.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.163 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -71.72 -56.41 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -47.18 -30.35 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.785 ' SD ' HG21 ' A' ' 16' ' ' ILE . 1.3 mmt -73.57 -56.52 4.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.748 ' NE1' HG21 ' A' ' 12' ' ' VAL . 2.5 m0 -57.3 -23.82 51.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -52.59 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.706 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -48.56 -57.24 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.6 mt -47.79 -47.77 30.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.2 -72.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER 65.03 136.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.2 Cg_endo -74.99 46.02 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 72' ' ' PRO . 5.8 pt-20 32.88 38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' PRO . 2.7 t80 -176.59 111.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.415 ' HG3' ' NH2' ' A' ' 33' ' ' ARG . 1.1 tm0? -177.11 -74.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER 176.85 -34.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.401 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 2.3 tmm? 74.95 -58.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 80' ' ' LEU . 84.1 p -112.75 65.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.38 72.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' SER . 10.5 tp -43.17 139.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.01 97.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.07 138.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.38 98.08 5.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -144.89 166.57 24.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 t -136.64 -71.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 tttp 65.97 144.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -167.68 71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.84 65.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -163.57 -71.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -156.56 151.16 25.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.87 152.65 51.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.86 86.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.63 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 43.78 -166.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.443 ' HB3' HE21 ' A' ' 90' ' ' GLN . 0.6 OUTLIER 65.26 163.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -137.93 171.15 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -167.76 118.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.08 159.51 18.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -151.56 173.36 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.9 m -156.47 86.68 2.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.93 5.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 156.82 37.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 145.66 13.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.46 172.0 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.67 97.54 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.695 HG12 ' N ' ' A' ' 107' ' ' PHE . 2.9 t -106.06 -82.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.695 ' N ' HG12 ' A' ' 106' ' ' VAL . 7.1 m-85 45.11 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.415 ' CB ' ' OE1' ' A' ' 111' ' ' GLN . 8.1 m -110.4 165.88 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.4 p-10 -84.12 -51.99 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.447 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 73.2 t -56.75 -48.29 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.608 ' O ' HD11 ' A' ' 133' ' ' ILE . 25.1 mt-30 -58.56 -62.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -54.33 -20.65 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -72.43 -41.86 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.66 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 12.0 m -65.3 -58.96 4.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.78 ' O ' HG22 ' A' ' 118' ' ' ILE . 2.5 tp -56.22 -52.56 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.525 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 73.4 t60 -49.62 -26.04 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -72.52 -35.17 68.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.78 HG22 ' O ' ' A' ' 115' ' ' LEU . 5.1 tp -77.24 -20.61 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.772 ' CE2' ' HB1' ' A' ' 151' ' ' ALA . 1.5 t80 -36.54 -40.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 57.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.696 ' HB3' HD12 ' A' ' 118' ' ' ILE . 7.9 tp10 -123.0 -85.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 42.2 t30 174.58 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.696 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -177.93 42.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.7 ' HA ' HG23 ' A' ' 118' ' ' ILE . 1.3 mtm105 -66.95 -43.19 46.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.95 -93.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.2 m 31.19 85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.887 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -51.76 -30.06 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -23.4 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.778 ' C ' HD23 ' A' ' 129' ' ' LEU . 1.2 tt -83.66 -57.39 3.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.606 ' N ' HD23 ' A' ' 129' ' ' LEU . 10.8 pt20 -43.73 -35.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.887 HD12 ' O ' ' A' ' 127' ' ' LYS . 5.9 mt -81.3 -34.26 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 4.4 m -57.34 -53.87 53.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.703 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.87 -56.89 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.559 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -51.52 -36.97 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -77.7 -23.43 49.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.949 ' C ' HD13 ' A' ' 137' ' ' LEU . 2.5 tt0 -58.78 -50.17 74.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.949 HD13 ' C ' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -123.87 26.76 7.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.649 ' C ' HD23 ' A' ' 139' ' ' LEU . . . -175.44 -125.47 0.87 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.649 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER 175.16 -35.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.254 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.34 150.75 41.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.539 ' O ' HD12 ' A' ' 141' ' ' LEU . 0.9 OUTLIER -78.61 0.53 26.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -51.96 -49.58 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 0.6 OUTLIER -57.64 -50.42 73.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 148' ' ' PHE . 54.8 t -41.75 -52.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.71 -39.36 70.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 143' ' ' THR . 0.2 OUTLIER -43.75 -48.79 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.06 -67.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.777 ' CD1' HG13 ' A' ' 144' ' ' VAL . 9.0 m-85 -34.71 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -83.64 -49.36 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 147' ' ' PHE . 63.5 m-20 -62.38 -47.44 84.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.772 ' HB1' ' CE2' ' A' ' 119' ' ' PHE . . . -78.45 -69.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.612 HG21 ' CE2' ' A' ' 66' ' ' TRP . 2.3 tp -147.32 118.96 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.456 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 6.0 m-20 -58.14 106.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.647 ' HB ' ' CE2' ' A' ' 62' ' ' PHE . 30.9 p -54.73 -34.43 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.456 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -71.69 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 5.0 mm-40 -59.41 -57.54 12.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG21 ' NE1' ' A' ' 66' ' ' TRP . 3.8 p -40.58 -38.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -54.91 -67.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 0.6 OUTLIER -65.94 -19.8 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.7 -42.23 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.673 HD13 HD12 ' A' ' 42' ' ' LEU . 5.5 mt -59.75 -45.98 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.4 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -74.22 -19.46 60.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -90.99 -24.9 19.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -85.37 -53.42 5.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.791 ' HB3' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -43.42 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -90.24 -60.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER 167.08 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 168.51 37.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.0 63.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.791 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -69.66 139.76 88.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.546 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.96 92.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.705 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 4.0 mp0 -40.58 -27.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.72 -49.58 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.1 mp -77.38 -41.24 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -70.74 -4.15 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -92.33 -48.29 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.04 -8.98 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.47 -72.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.455 HG22 ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -123.98 -57.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.695 HD23 ' CB ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -121.6 167.29 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.36 -37.88 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.942 ' HB3' HG21 ' A' ' 41' ' ' THR . 2.2 mmp_? -59.52 145.58 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 11.6 m -164.94 -177.95 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.953 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER 66.91 47.2 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 45.73 35.34 5.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.942 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -41.1 -26.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.726 HD13 ' CD1' ' A' ' 62' ' ' PHE . 13.5 mt -63.23 -50.41 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -20.97 66.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.92 -44.9 37.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD12 ' HG ' ' A' ' 55' ' ' LEU . 1.3 tm? -78.8 -19.03 53.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.708 ' CD1' HD12 ' A' ' 55' ' ' LEU . 6.0 mp -90.09 0.29 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.33 -59.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.6 p30 -60.33 159.25 23.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -152.67 89.92 3.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.19 13.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.7 m0 68.17 37.69 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 t -64.84 -43.19 93.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 70.9 25.28 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.708 HD12 ' CD1' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 38.99 78.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -46.9 -29.78 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.589 ' HB2' HD23 ' A' ' 55' ' ' LEU . 6.9 m -53.39 -39.85 64.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 99.84 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.41 -26.99 68.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -33.46 75.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.478 HG22 HD21 ' A' ' 42' ' ' LEU . 22.9 m -58.29 -66.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.726 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -40.8 -42.75 1.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 111.005 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 22.0 ttt180 -65.2 -46.84 79.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.695 ' CB ' HD23 ' A' ' 35' ' ' LEU . 6.3 mmt85 -50.47 -50.03 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' TRP . 1.9 mpt? -53.29 -60.15 3.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.612 ' CE2' HG21 ' A' ' 7' ' ' ILE . 4.0 m0 -44.79 -27.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -65.71 -46.58 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -45.87 -51.19 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' HG23 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -75.24 -30.8 60.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 32.4 tt0 -55.01 -39.69 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 70' ' ' GLN . 0.6 OUTLIER -33.7 139.5 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.03 56.99 4.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 173.93 133.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.17 -33.89 13.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.562 ' HG2' ' CH2' ' A' ' 68' ' ' TRP . 2.4 tp60 72.32 59.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -100.07 32.08 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.6 mmt -121.14 -49.88 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . 58.4 m -77.32 -84.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -39.72 -61.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 93.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -153.63 158.42 41.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 3.4 pp -96.03 170.65 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . 75.78 164.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 60.48 81.9 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 50.7 m -148.32 160.85 42.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.253 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 137.26 14.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -86.69 140.37 29.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.25 86.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.2 58.73 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.54 103.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -179.29 124.16 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -151.16 123.05 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 56.98 161.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 mttp 68.18 173.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -108.19 -57.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.66 161.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -154.43 -175.18 25.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -177.76 160.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.4 m -147.15 91.19 5.17 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.82 26.21 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.77 133.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -162.25 90.81 1.36 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.6 42.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.42 168.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.62 97.99 6.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.474 HG12 ' HB ' ' A' ' 143' ' ' THR . 66.5 t -93.62 -80.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 39.26 85.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.458 ' CB ' ' NE2' ' A' ' 111' ' ' GLN . 19.5 m -110.23 171.16 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' H ' HG22 ' A' ' 108' ' ' THR . 8.4 t0 -88.06 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.6 t -57.43 -51.14 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.506 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 7.0 mt-30 -58.82 -60.95 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -52.77 -20.8 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -85.9 -25.5 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.526 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 61.0 m -77.78 -59.67 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.067 ' CD2' HG13 ' A' ' 144' ' ' VAL . 7.2 tp -59.69 -40.36 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.55 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 57.4 t60 -51.87 -49.9 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.02 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.996 HG13 HD11 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -68.28 -27.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.594 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -49.35 -23.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -73.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 168.86 107.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.5 -60.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 1.012 ' O ' HD22 ' A' ' 129' ' ' LEU . 2.1 mtmt -149.53 29.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.49 ' HA ' ' CG2' ' A' ' 118' ' ' ILE . 0.8 OUTLIER -34.1 -53.71 0.88 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.0 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.578 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.3 m 24.11 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.7 OUTLIER -38.36 -31.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -66.34 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 1.012 HD22 ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -41.76 -53.64 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.634 ' HB3' HG11 ' A' ' 144' ' ' VAL . 76.7 mt-30 -42.57 -49.91 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.2 mm -77.52 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 129' ' ' LEU . 8.5 m -66.0 -46.47 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -68.99 -41.6 81.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.27 -42.51 93.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 139' ' ' LEU . 6.2 tm0? -79.05 -16.85 56.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.5 ' HB3' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -68.31 -38.22 81.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 2.9 mm? -113.28 -33.39 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -132.48 -110.8 1.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -179.34 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.61 138.95 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.9 pp -72.71 -4.15 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.424 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.6 OUTLIER -42.3 -50.73 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.474 ' HB ' HG12 ' A' ' 106' ' ' VAL . 14.3 t -69.04 -45.69 69.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 1.067 HG13 ' CD2' ' A' ' 115' ' ' LEU . 78.9 t -43.55 -35.9 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -39.89 56.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -40.56 -39.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -83.53 -68.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.634 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 11.5 m-85 -41.5 -26.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 147' ' ' PHE . 22.6 tpp -77.83 -54.51 6.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -68.47 -52.17 35.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' A' ' 119' ' ' PHE . . . -69.9 -82.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.88 HG23 HG21 ' A' ' 12' ' ' VAL . 1.7 mp 66.13 118.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 2.5 m120 -91.93 -170.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 1.6 m -100.61 -58.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -32.39 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.9 67.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.88 HG21 HG23 ' A' ' 7' ' ' ILE . 2.6 p -73.98 -50.24 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -47.49 -58.38 4.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -26.84 64.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.78 -59.19 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.048 HD13 HD12 ' A' ' 42' ' ' LEU . 3.7 mt -38.66 -36.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.703 ' HA ' HD11 ' A' ' 25' ' ' ILE . 1.1 m -67.36 -51.02 57.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' ARG . 50.6 m -83.23 0.09 47.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -90.9 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.728 HD21 ' CE1' ' A' ' 30' ' ' PHE . 3.9 mp -53.66 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -90.75 -70.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.565 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 168.71 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.8 m-85 177.7 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.5 m -161.9 64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 17' ' ' THR . 47.6 mm -57.58 119.08 29.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 18.3 Cg_endo -74.97 84.94 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -37.82 -32.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.43 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.413 HG21 ' HB2' ' A' ' 79' ' ' ALA . 2.1 mp -67.86 -50.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CE1' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -52.48 -27.6 16.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -91.83 -17.92 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -88.79 -7.8 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' NH1' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -91.03 -80.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -48.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.571 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -60.15 161.75 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 68.2 m -100.48 -36.1 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -171.78 96.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.555 ' HB2' HG22 ' A' ' 41' ' ' THR . 11.9 p -170.45 169.4 7.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -156.55 60.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.82 9.41 40.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.704 ' OG1' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -40.33 -32.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.048 HD12 HD13 ' A' ' 16' ' ' ILE . 13.4 mt -37.38 -46.51 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' ARG . 32.3 t -75.65 -42.13 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 56.3 m-20 -53.35 -58.3 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.043 HD11 HD21 ' A' ' 55' ' ' LEU . 2.0 pp -62.08 -25.38 67.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.691 HD12 ' O ' ' A' ' 42' ' ' LEU . 42.7 mt -90.74 1.71 56.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -41.1 -32.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -72.42 154.04 91.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 93.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.86 86.98 8.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 16.9 m0 55.77 60.64 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 108.017 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.2 t -89.91 -48.25 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 83.68 36.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 40.22 73.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -45.97 -41.51 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.93 -53.7 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -173.24 105.39 0.21 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -25.97 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -45.56 -47.75 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.5 HG22 HD21 ' A' ' 42' ' ' LEU . 2.1 m -50.61 -58.1 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -50.13 -38.77 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -67.01 -38.28 85.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.11 -60.57 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.721 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -55.27 -58.25 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 18.7 m0 -45.92 -55.53 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 18.6 mttt -40.76 -37.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CE3' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -58.89 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.818 HD21 HG12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.59 -6.95 28.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -78.13 -38.76 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -41.55 148.94 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 62.45 5.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.83 129.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.35 -51.73 68.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -179.59 68.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.29 46.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.7 ttt -134.46 -56.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.463 ' OG ' ' NH1' ' A' ' 33' ' ' ARG . 5.0 m -96.77 -61.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' HB2' HG21 ' A' ' 29' ' ' ILE . . . -39.97 133.63 1.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 tp -42.4 117.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 101.0 9.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.69 124.85 9.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -57.3 166.85 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 83' ' ' ALA . . . 72.72 154.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.44 175.48 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -119.06 -171.74 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -143.44 114.37 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 178.81 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.31 -70.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 1.2 mt-30 -168.39 -178.03 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.1 mt-10 165.11 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -173.94 162.49 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.629 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.35 106.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' N ' ' OD2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 65.41 -169.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.39 166.6 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -178.29 143.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.6 176.26 38.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.7 142.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -162.96 110.37 1.04 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -170.23 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -179.13 102.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 146.56 32.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.4 9.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.51 170.79 18.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.63 100.67 7.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.507 ' CG1' ' OG ' ' A' ' 142' ' ' SER . 75.5 t -146.07 -88.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.463 ' N ' ' OG ' ' A' ' 142' ' ' SER . 96.5 m-85 41.55 95.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -107.3 161.06 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.2 OUTLIER -86.83 -46.9 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.48 HG12 HD21 ' A' ' 137' ' ' LEU . 69.4 t -59.71 -48.27 88.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.613 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.2 tt0 -61.19 -61.52 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -56.46 -24.49 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 44.0 ttt180 -72.05 -32.72 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.566 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 54.4 m -68.77 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 133' ' ' ILE . 7.6 tp -57.69 -36.27 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.621 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 42.0 t60 -52.42 -41.79 63.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.31 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.974 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -65.23 -33.89 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.612 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.9 t80 -43.44 -25.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.38 -70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER 160.0 110.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.52 -69.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.96 ' O ' HD22 ' A' ' 129' ' ' LEU . 1.1 mttt -145.57 40.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.9 OUTLIER -39.27 -51.08 4.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.557 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.05 -91.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.557 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.0 m 25.29 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.606 ' O ' HD12 ' A' ' 131' ' ' ILE . 1.7 mmtt -45.33 -25.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 126' ' ' SER . 2.5 tp10 -74.01 -42.51 60.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.974 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -64.01 -62.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.703 ' N ' HD23 ' A' ' 129' ' ' LEU . 6.1 pt20 -41.77 -35.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 127' ' ' LYS . 58.7 mt -80.44 -39.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 129' ' ' LEU . 21.2 m -48.49 -57.49 6.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.686 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -57.96 -55.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -50.11 -24.73 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -90.96 -24.42 20.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.79 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 110' ' ' VAL . 4.5 mm? -70.65 -12.45 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.871 ' C ' HD22 ' A' ' 139' ' ' LEU . . . 70.35 63.62 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.871 HD22 ' C ' ' A' ' 138' ' ' GLY . 3.9 mm? -133.69 -98.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.556 ' OE1' HD23 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -178.66 -170.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.556 HD23 ' OE1' ' A' ' 140' ' ' GLU . 2.7 pp -47.54 -20.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.507 ' OG ' ' CG1' ' A' ' 106' ' ' VAL . 3.5 t -32.5 -53.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.504 ' CB ' ' HG2' ' A' ' 111' ' ' GLN . 5.9 t -64.49 -52.05 59.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.629 HG13 ' CE2' ' A' ' 148' ' ' PHE . 95.5 t -44.05 -60.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.3 OUTLIER -59.52 -47.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 112' ' ' ARG . 52.1 t-20 -45.26 -51.88 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.621 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.6 t80 -78.17 -72.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.629 ' CE2' HG13 ' A' ' 144' ' ' VAL . 7.8 m-30 -33.07 -37.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.513 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.5 ttm -82.56 -52.22 7.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -59.15 -47.08 86.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.588 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.23 -73.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.648 ' CG2' ' CZ2' ' A' ' 66' ' ' TRP . 4.3 tp -93.2 17.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 2.2 m-20 66.65 140.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.715 HG23 HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -103.43 -45.69 4.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -96.16 -43.8 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -65.51 -24.02 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 13' ' ' ALA . 4.9 p -75.4 -52.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . . . -48.07 -56.48 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -62.01 -22.84 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -72.78 -47.9 42.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.661 HD13 ' HB3' ' A' ' 65' ' ' MET . 2.9 mt -63.83 -16.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -91.03 -39.52 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.412 ' HA ' ' C ' ' A' ' 22' ' ' ARG . 32.9 m -90.76 -12.14 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.722 ' CB ' HD11 ' A' ' 69' ' ' LEU . 7.5 mm-40 -91.08 -57.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.841 ' HB3' HD13 ' A' ' 25' ' ' ILE . 2.7 mp -41.04 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.2 tttt -87.06 -54.57 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER 156.75 -23.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.3 OUTLIER 170.48 37.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 161.35 74.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -70.33 138.06 86.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.593 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.04 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.663 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -40.08 -28.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.84 -47.8 83.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -67.07 -51.15 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -67.83 -4.94 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.17 -52.09 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -5.05 59.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.551 ' HE ' HG23 ' A' ' 34' ' ' VAL . 4.9 tpm_? -90.53 -77.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.887 HG11 ' O ' ' A' ' 64' ' ' ARG . 9.3 t -120.24 -78.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.674 HD11 ' HE3' ' A' ' 65' ' ' MET . 9.6 mt -60.09 176.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.0 m -96.75 -41.41 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.07 98.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 m -170.13 152.74 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.78 71.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 84.64 25.91 40.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.98 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 0.787 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.553 HD12 HD13 ' A' ' 16' ' ' ILE . 10.7 mt -48.91 -61.49 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -55.06 -44.2 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.499 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 57.5 m-20 -52.8 -56.7 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.95 HD13 HD11 ' A' ' 55' ' ' LEU . 4.0 pp -68.94 -20.8 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 9' ' ' THR . 0.4 OUTLIER -91.31 2.49 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -38.34 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.24 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.4 p30 -82.78 145.7 50.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 99.09 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -141.23 84.91 12.35 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.81 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.3 m0 67.14 43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.488 ' H ' HG21 ' A' ' 9' ' ' THR . 0.3 OUTLIER -83.59 -56.06 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 82.23 33.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.95 HD11 HD13 ' A' ' 45' ' ' LEU . 2.4 mm? 39.18 79.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -24.65 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -57.59 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.072 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 99.74 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -28.44 15.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 0.783 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -48.94 -44.62 40.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 m -52.79 -58.76 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.759 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.63 -39.82 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' ARG . 1.1 mtm180 -64.77 -58.02 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.887 ' O ' HG11 ' A' ' 34' ' ' VAL . 1.4 ttm180 -35.34 -40.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.674 ' HE3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -73.68 -51.11 17.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.648 ' CZ2' ' CG2' ' A' ' 7' ' ' ILE . 13.3 m0 -54.17 -27.13 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.2 mtpt -63.13 -62.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.709 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.9 t90 -42.34 -48.27 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 19' ' ' GLU . 2.3 tp -62.65 -60.29 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.476 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -44.17 -52.04 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 70' ' ' GLN . 34.7 mm-40 -32.92 139.28 0.23 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.3 Cg_endo -74.98 52.11 2.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 72' ' ' PRO . 1.9 mp0 31.21 71.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 75' ' ' GLN . 1.9 t80 -96.52 -41.12 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' HG3' HG23 ' A' ' 29' ' ' ILE . 2.2 tm0? -38.22 -76.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.1 OUTLIER -154.1 36.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 2.5 ttp 81.78 -49.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 p -168.34 71.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 25' ' ' ILE . . . 48.23 -167.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.599 HD12 ' C ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -147.32 129.83 15.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -46.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 82' ' ' LEU . 3.6 mp 64.33 -178.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.612 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . -93.57 130.19 39.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 83' ' ' ALA . . . 169.46 88.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 128.02 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 108.315 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -164.46 84.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.95 159.93 15.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.96 -63.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -131.85 111.26 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -81.54 -61.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 57.23 90.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 166.56 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.606 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.5 149.69 0.25 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 1.7 tmmt? -40.59 134.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.53 -172.61 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.49 -177.43 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.82 -165.0 30.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -137.34 -175.78 4.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 99' ' ' THR . 10.1 t -92.34 112.11 53.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -173.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -78.87 -172.07 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -71.04 168.29 22.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.18 5.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 178.83 160.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -135.45 -161.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -147.6 -67.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.731 ' CZ ' ' ND2' ' A' ' 146' ' ' ASN . 2.9 t80 45.97 95.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 151.99 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.13 -27.53 21.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.73 -46.27 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.756 ' HA ' HD11 ' A' ' 133' ' ' ILE . 6.0 mp0 -69.59 -59.29 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.714 HH21 ' HG2' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -49.65 -22.61 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.714 ' HG2' HH21 ' A' ' 112' ' ' ARG . 9.6 mtt180 -77.31 -43.88 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.46 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 63.1 m -63.67 -60.42 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.077 HD13 HG21 ' A' ' 133' ' ' ILE . 6.9 tp -55.37 -41.84 73.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.635 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 35.5 t60 -50.87 -34.09 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.14 -25.1 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.97 HG13 HD11 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -69.48 -24.9 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 151' ' ' ALA . 2.7 t80 -49.1 -19.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 69.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.621 ' CB ' HD13 ' A' ' 118' ' ' ILE . 1.6 tt0 -134.89 -76.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -178.23 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.735 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.6 OUTLIER -90.08 22.66 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.556 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 2.7 mtm180 -29.74 -57.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.556 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.01 -92.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 125' ' ' PRO . 35.3 m 32.41 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -48.51 -44.29 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -49.94 75.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.97 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -46.13 -51.25 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.769 ' HG3' HG21 ' A' ' 144' ' ' VAL . 0.3 OUTLIER -46.64 -41.93 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.422 ' N ' ' HG2' ' A' ' 130' ' ' GLN . 3.1 mt -80.07 -23.33 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' LEU . 95.9 m -66.69 -47.12 73.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -71.69 -45.2 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.476 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 1.0 OUTLIER -57.59 -37.32 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.95 -21.3 26.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.645 ' C ' HD13 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -54.84 -48.99 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 136' ' ' GLN . 0.7 OUTLIER -116.98 -12.1 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -132.13 -132.0 3.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.499 HD12 ' OE1' ' A' ' 140' ' ' GLU . 0.2 OUTLIER -168.62 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.499 ' OE1' HD12 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -69.31 174.67 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -99.98 1.18 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.5 t -55.34 -50.91 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 146' ' ' ASN . 62.1 p -52.11 -40.01 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.769 HG21 ' HG3' ' A' ' 130' ' ' GLN . 45.0 t -61.78 -44.05 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.84 -45.95 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.731 ' ND2' ' CZ ' ' A' ' 107' ' ' PHE . 2.5 m120 -43.02 -53.87 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.635 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.1 t80 -76.87 -70.61 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.695 ' CE2' ' CG1' ' A' ' 144' ' ' VAL . 7.1 m-30 -33.4 -34.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.518 ' O ' ' CG ' ' A' ' 152' ' ' ARG . 18.7 mmt -90.73 -46.0 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 146' ' ' ASN . 5.5 t-20 -61.91 -41.3 97.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.61 ' O ' ' CZ ' ' A' ' 119' ' ' PHE . . . -90.18 0.34 57.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 149' ' ' MET . 25.2 ptt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.031 HG23 HG21 ' A' ' 12' ' ' VAL . 4.1 mp 60.95 105.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.44 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -84.16 -168.19 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.482 HG23 HD21 ' A' ' 46' ' ' LEU . 1.2 m -101.84 -55.61 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -97.4 -26.56 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.66 -27.31 45.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.031 HG21 HG23 ' A' ' 7' ' ' ILE . 7.8 p -70.64 -52.28 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.679 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -50.87 -63.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -27.31 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 19' ' ' GLU . 7.9 ttt180 -67.51 -59.84 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.896 ' CD1' HD12 ' A' ' 42' ' ' LEU . 4.6 mt -35.95 -43.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -58.42 -51.63 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 22' ' ' ARG . 4.9 m -88.35 1.06 55.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.84 -52.35 4.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.8 HD11 ' CD2' ' A' ' 68' ' ' TRP . 4.6 mm? -55.73 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.5 tttt -84.02 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER 160.91 -29.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.4 m-85 179.39 35.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.83 63.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.829 HD11 ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -57.49 125.38 71.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.505 ' HB2' HD12 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.97 80.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.49 -36.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -59.01 -60.17 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 79' ' ' ALA . 5.1 mt -59.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 1.219 ' CE2' HD23 ' A' ' 35' ' ' LEU . 21.4 t80 -69.84 -4.44 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -93.27 -41.79 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -15.67 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HD3' ' CE2' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -66.69 -79.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.891 HG13 HD22 ' A' ' 35' ' ' LEU . 2.5 p -125.6 -66.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.219 HD23 ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -68.03 149.15 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.639 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 2.1 p -55.37 -56.84 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.12 110.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 2.8 m -170.9 134.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.794 ' HB2' HG23 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -119.43 60.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 30.98 3.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.425 HG22 ' CE ' ' A' ' 65' ' ' MET . 2.4 t -52.78 -35.82 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.896 HD12 ' CD1' ' A' ' 16' ' ' ILE . 28.3 mt -47.57 -57.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -54.82 -38.13 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.97 -60.26 4.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.997 HD13 HD21 ' A' ' 55' ' ' LEU . 3.5 pp -62.4 -19.26 63.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.74 HD11 ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -89.8 4.07 50.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -33.45 -47.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' LEU . 6.9 p30 -72.4 146.18 88.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.2 OUTLIER -137.87 102.07 8.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 121.01 6.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m0 45.13 61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 46.5 t -91.29 -54.53 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 87.27 38.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.997 HD21 HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER 37.74 76.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -59.03 -31.65 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.415 ' HB2' HD22 ' A' ' 55' ' ' LEU . 4.5 m -54.0 -45.67 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.91 108.87 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -68.49 -25.75 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.52 -36.99 82.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.59 HG22 HD21 ' A' ' 42' ' ' LEU . 2.7 m -58.65 -64.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CE1' HD11 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -42.91 -47.32 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.537 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -61.96 -48.5 80.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.548 ' CG ' HD11 ' A' ' 35' ' ' LEU . 1.2 ttt180 -37.72 -48.11 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.8 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -65.29 -53.48 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.953 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.647 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 11.8 m0 -49.58 -36.95 25.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 108.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 14.7 mttt -51.11 -55.48 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.8 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -43.79 -59.29 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 108.016 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.72 -33.61 64.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.508 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -77.18 1.51 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.581 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -131.09 55.16 17.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.581 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -75.01 -40.15 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.469 1.773 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.57 -80.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' PRO . 6.9 t80 -164.53 27.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 74' ' ' PHE . 1.7 mm100 36.26 65.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -175.38 34.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.74 9.42 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.4 m -167.76 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.702 ' HA ' HD13 ' A' ' 29' ' ' ILE . . . -62.08 132.69 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.564 HD13 ' N ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -172.67 139.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.564 ' N ' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.69 139.2 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.645 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -167.56 129.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . 80.63 148.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.51 100.04 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.19 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.99 66.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -151.24 -61.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp 68.43 71.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -127.52 133.07 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 91' ' ' GLU . 38.7 tt0 -166.42 153.39 9.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' N ' ' HG2' ' A' ' 90' ' ' GLN . 0.8 OUTLIER 175.65 86.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 62.43 171.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.597 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.8 -103.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.41 103.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.29 178.87 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -146.64 158.78 43.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -163.35 176.6 39.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.87 146.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 1.2 m -150.92 129.5 6.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 99' ' ' THR . 18.4 Cg_endo -74.94 155.46 43.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -95.91 176.38 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.91 91.14 0.53 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.29 42.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.43 175.71 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.57 101.94 7.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 107' ' ' PHE . 2.6 t -113.32 -72.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.536 ' N ' HG12 ' A' ' 106' ' ' VAL . 2.0 m-85 36.57 88.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.442 HG21 ' NE2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -98.97 163.72 12.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.95 -41.48 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.2 p -66.84 -40.37 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.536 ' O ' HD11 ' A' ' 133' ' ' ILE . 35.0 mt-30 -66.86 -59.91 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -53.88 -18.9 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -82.68 -29.33 30.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.521 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 37.5 m -75.04 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.748 HD22 HG21 ' A' ' 133' ' ' ILE . 3.6 tp -59.37 -33.2 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.624 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 48.7 t60 -62.6 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.58 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.22 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.913 HG13 HD11 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -71.26 -49.7 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.55 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -44.48 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -69.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 170.0 104.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.548 ' HB2' HD13 ' A' ' 118' ' ' ILE . 1.6 m-20 -161.52 -76.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.899 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -149.62 42.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 15.1 mtm180 -58.11 -42.63 96.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.02 58.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.552 1.817 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 129' ' ' LEU . 2.8 m -150.99 90.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.421 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -46.41 -36.19 6.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -37.15 86.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.913 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.847 ' N ' HD23 ' A' ' 129' ' ' LEU . 11.3 tt0 -45.61 -40.4 8.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 127' ' ' LYS . 4.3 mt -81.74 -25.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 84.0 m -63.36 -50.32 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.748 HG21 HD22 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.18 -53.64 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.598 ' HB3' HG23 ' A' ' 144' ' ' VAL . 0.9 OUTLIER -55.28 -37.66 67.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 19.2 tt0 -86.23 -2.35 58.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.5 -44.62 20.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.485 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.5 mp -128.23 21.85 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -167.64 -120.31 0.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' SER . 1.1 pp 169.72 -34.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.754 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 153.04 38.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -2.97 49.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -60.6 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.526 HG21 ' OE1' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -49.72 -48.9 49.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.72 HG21 ' HG2' ' A' ' 130' ' ' GLN . 2.0 t -44.97 -49.3 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -40.2 89.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.513 ' HA ' ' CE2' ' A' ' 107' ' ' PHE . 36.6 t-20 -41.54 -45.29 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.628 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 0.8 OUTLIER -88.88 -68.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.517 ' HE1' HD21 ' A' ' 115' ' ' LEU . 5.4 m-85 -35.01 -35.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -80.01 -52.4 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.35 -50.31 72.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.628 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -73.15 -70.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.019 HG23 HG21 ' A' ' 12' ' ' VAL . 2.2 mp 65.38 85.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.41 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.766 ' O ' HD21 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -100.62 -55.19 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.432 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.81 ' HG2' HD23 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -88.38 -42.58 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.4 mt-10 -58.11 -22.96 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.019 HG21 HG23 ' A' ' 7' ' ' ILE . 1.4 t -80.95 -58.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . . . -43.48 -38.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -79.17 -35.15 42.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -59.55 -40.95 88.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.764 HG13 HD11 ' A' ' 69' ' ' LEU . 3.7 mt -64.6 -63.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' TYR . 60.0 m -56.71 -16.99 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 17.3 m -92.02 -37.93 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ARG . 7.6 tp10 -81.46 -54.17 5.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.891 ' HB3' HD13 ' A' ' 25' ' ' ILE . 55.5 mt -39.79 -88.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -91.9 -60.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.605 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER 168.04 -28.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 173.21 36.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER 164.07 77.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.891 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -66.75 138.61 95.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.05 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.744 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -40.52 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.96 -48.95 78.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.528 HG22 ' HG3' ' A' ' 33' ' ' ARG . 24.1 mm -68.77 -48.68 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CE2' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -71.11 -0.74 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -91.71 -47.82 7.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.19 1.33 56.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HG3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -90.31 -77.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.638 HG23 ' H ' ' A' ' 35' ' ' LEU . 30.0 m -122.72 -61.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.7 HD22 ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.87 168.9 19.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.565 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 84.1 m -85.01 -43.85 13.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 2.9 ptm180 -172.12 101.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -170.49 139.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.483 ' HG2' ' CG ' ' A' ' 27' ' ' GLN . 1.3 pt20 -123.09 73.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 92.52 38.03 5.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.716 HG22 ' HE3' ' A' ' 65' ' ' MET . 0.0 OUTLIER -46.91 -21.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.422 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.955 HD22 ' CD1' ' A' ' 62' ' ' PHE . 33.5 mt -64.73 -57.19 9.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -13.39 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' A' ' 41' ' ' THR . 3.7 m-20 -80.72 -55.92 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.896 HD12 ' HG ' ' A' ' 55' ' ' LEU . 2.5 tm? -70.82 -21.57 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.81 HD23 ' HG2' ' A' ' 10' ' ' LYS . 7.9 mp -76.32 -1.92 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 92' ' ' HIS . 1.5 tmt_? -37.41 -35.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -91.46 146.96 34.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.78 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' O ' HG21 ' A' ' 9' ' ' THR . 0.0 OUTLIER -146.09 106.25 4.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.47 13.32 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.3 m0 62.56 45.4 6.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 55' ' ' LEU . 1.2 t -79.33 -37.56 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.52 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.896 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 47.0 65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -47.39 -44.55 24.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -50.62 -46.61 58.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.4 77.99 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -17.62 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -47.57 -35.81 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.9 m -59.0 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.955 ' CD1' HD22 ' A' ' 42' ' ' LEU . 5.3 m-85 -52.63 -59.48 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -41.84 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 9.9 mmt180 -64.96 -52.6 55.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.716 ' HE3' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -47.07 -48.75 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.833 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.19 -31.82 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 3.2 ttpp -51.65 -53.24 40.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.627 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -50.76 -57.97 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 107.982 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.764 HD11 HG13 ' A' ' 16' ' ' ILE . 2.2 mt -55.41 -35.73 65.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.502 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -77.24 2.39 15.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.579 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 1.2 mp0 -131.39 55.27 17.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.579 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -74.98 -30.39 7.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -106.32 91.02 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.74 -45.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.455 ' OE1' ' NE ' ' A' ' 33' ' ' ARG . 4.6 pm0 -118.56 -34.69 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 75' ' ' GLN . 2.8 ttt180 44.38 35.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 ttt -167.96 43.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -131.33 -87.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.38 130.12 2.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER 178.71 164.89 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.412 ' H ' HD23 ' A' ' 80' ' ' LEU . 37.3 ttt180 -94.43 150.7 20.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.46 170.9 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.18 108.73 20.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.47 135.93 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -174.05 104.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 108.264 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.45 130.48 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? 57.32 169.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -179.48 151.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 2.3 mt-10 -174.84 109.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -173.96 160.1 3.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.16 55.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.435 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 16.8 m80 57.17 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.579 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 95' ' ' ASP . . . 79.39 136.12 1.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.08 95.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' GLY . 0.4 OUTLIER -153.89 93.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -83.64 173.26 11.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.33 -172.5 13.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -168.32 -179.43 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.739 HG23 ' HD2' ' A' ' 100' ' ' PRO . 2.4 m -157.49 146.56 14.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 99' ' ' THR . 18.4 Cg_endo -74.95 119.39 5.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HD2' HD11 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -126.72 -170.12 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -155.68 113.2 2.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.25 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.436 ' O ' ' CG ' ' A' ' 104' ' ' ARG . 18.2 Cg_endo -75.03 -175.12 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 106' ' ' VAL . 1.0 OUTLIER 43.35 -162.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tp 61.67 -82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 140' ' ' GLU . 2.3 t -39.94 -59.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.647 ' C ' ' O ' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -10.26 88.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 106' ' ' VAL . 2.5 m -97.91 158.4 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 1.1 t70 -86.71 -38.76 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.74 -47.53 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.586 ' HA ' HD11 ' A' ' 133' ' ' ILE . 79.5 mt-30 -59.29 -60.45 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.518 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -50.34 -21.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -80.35 -30.66 38.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.502 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 77.5 m -76.84 -57.76 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.691 HD22 HG21 ' A' ' 133' ' ' ILE . 5.2 tp -58.04 -52.08 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.58 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 21.4 t-160 -49.32 -40.97 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.62 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.83 HG13 HD11 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -74.55 -24.25 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.595 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 12.3 t80 -51.3 -23.75 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 174.79 106.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -176.04 -67.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.906 ' CB ' HD13 ' A' ' 129' ' ' LEU . 16.2 mmtt -135.39 36.55 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -43.73 -51.82 15.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.553 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.01 -92.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.6 m 25.33 76.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.96 -38.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 129' ' ' LEU . 12.7 pt-20 -61.62 -46.98 87.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.906 HD13 ' CB ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -51.98 -55.73 18.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.8 ' CG ' HG11 ' A' ' 144' ' ' VAL . 0.4 OUTLIER -42.19 -39.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.6 mt -84.83 -27.13 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.2 m -63.42 -46.21 87.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.691 HG21 HD22 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.65 -53.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -55.47 -36.37 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -79.66 -28.97 40.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.78 ' HB3' HD12 ' A' ' 137' ' ' LEU . 14.8 tp60 -52.22 -49.73 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' A' ' 136' ' ' GLN . 4.1 mp -126.52 33.69 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.778 ' C ' HD23 ' A' ' 139' ' ' LEU . . . -178.28 -127.91 1.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.778 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER 178.5 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.649 ' HB2' HG21 ' A' ' 106' ' ' VAL . 28.7 mp0 -75.01 174.13 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.648 ' H ' HD13 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -97.03 0.64 49.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.455 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.3 OUTLIER -48.22 -59.37 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 134' ' ' SER . 3.1 t -53.55 -53.27 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.8 HG11 ' CG ' ' A' ' 130' ' ' GLN . 71.2 t -43.62 -47.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -57.3 -39.95 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.553 ' HA ' ' CE2' ' A' ' 107' ' ' PHE . 38.3 t-20 -45.36 -50.57 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 151' ' ' ALA . 0.1 OUTLIER -83.29 -68.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.604 ' CD1' HG13 ' A' ' 144' ' ' VAL . 6.2 m-85 -35.74 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 145' ' ' SER . 26.8 tpp -87.24 -44.4 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' PHE . 16.3 t30 -66.8 -49.36 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -76.91 -66.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.5 mp -107.47 -41.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 64.76 94.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.744 HG22 ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -56.54 -44.84 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.408 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -66.56 -57.38 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.4 mt-10 -60.22 -21.73 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.874 HG13 HD11 ' A' ' 16' ' ' ILE . 2.1 t -65.95 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.583 ' HB1' ' CA ' ' A' ' 43' ' ' SER . . . -43.93 -55.61 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -63.63 -30.64 71.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 19' ' ' GLU . 5.6 mtt180 -64.84 -67.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.874 HD11 HG13 ' A' ' 12' ' ' VAL . 2.7 mp -41.5 -30.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.764 HG22 ' HA ' ' A' ' 23' ' ' TYR . 3.4 m -68.48 -48.39 64.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 15' ' ' ARG . 49.4 m -91.31 -3.48 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -91.84 -49.28 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.856 ' HB3' HD13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -65.39 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.8 ttpp -84.13 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 1.4 ptt85 163.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.764 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER 174.14 36.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 167.11 76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.856 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.5 tp -70.35 132.92 87.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.787 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . 5.2 mp0 -36.97 -56.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -38.9 -43.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.609 HD13 ' HG2' ' A' ' 26' ' ' PRO . 1.4 mp -71.98 -50.05 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.639 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -64.78 -5.06 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -88.41 -47.37 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -3.99 58.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' NE ' ' OE1' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -91.09 -77.82 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.774 HG12 HD13 ' A' ' 35' ' ' LEU . 94.7 t -121.31 -80.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.774 HD13 HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -59.52 177.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.8 t -96.39 -42.03 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttm105 -171.76 90.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.41 122.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.437 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 3.2 tm0? -101.02 80.64 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 89.71 40.94 5.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.522 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -42.87 -26.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.746 HD12 HD13 ' A' ' 16' ' ' ILE . 14.2 mt -71.22 -65.1 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.583 ' CA ' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -47.26 -32.73 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' THR . 1.7 t0 -55.17 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.948 ' HB3' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -74.33 -17.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -91.49 3.49 54.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.31 -42.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.9 m-80 -78.55 127.8 79.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 93.05 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 153.69 23.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 123.0 7.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 58.56 58.53 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 t -40.94 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.4 25.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.948 HD21 ' HB3' ' A' ' 45' ' ' LEU . 3.1 mm? -106.83 33.86 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -28.83 13.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.0 m -59.85 -52.3 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 61' ' ' THR . . . -117.47 70.32 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -16.66 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -35.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 62' ' ' PHE . 7.4 t -73.91 -54.58 7.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.744 ' CE2' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -50.78 -51.95 45.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.598 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.7 ttt180 -54.41 -60.56 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.459 ' O ' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -37.24 -40.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.676 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.18 -60.83 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.628 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 2.7 m0 -46.57 -26.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -63.32 -50.89 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.517 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -47.53 -50.61 23.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -65.84 -36.6 83.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.38 -41.78 94.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' GLN . 10.1 mm-40 -35.94 141.89 0.32 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' PHE . 18.6 Cg_endo -74.97 54.88 3.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 111.052 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER 38.02 30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' PRO . 10.2 t80 -46.67 -43.73 17.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.442 ' OE1' ' NE ' ' A' ' 33' ' ' ARG . 1.3 pm0 -110.51 60.82 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.38 59.45 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 75' ' ' GLN . 18.4 ptt? -179.17 -38.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' LEU . 20.7 m -44.94 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.464 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -69.78 61.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 1.7 tp -176.48 60.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER 162.52 168.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 78.26 139.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.13 50.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.97 141.12 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.1 t 65.14 102.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -76.45 164.66 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.16 111.6 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.0 -60.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.94 71.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.18 140.78 32.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.77 -170.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.252 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -74.84 173.77 10.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.7 161.45 36.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.4 t0 73.77 159.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -143.42 174.67 10.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.91 -161.73 9.06 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -175.25 171.3 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -139.37 139.06 21.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 99' ' ' THR . 18.3 Cg_endo -74.97 -169.3 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.37 130.94 55.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -156.36 169.83 9.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -165.35 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 63.4 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 tp -163.33 127.54 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.764 HG13 ' HB3' ' A' ' 142' ' ' SER . 0.4 OUTLIER -155.76 -87.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.664 ' N ' HG22 ' A' ' 106' ' ' VAL . 0.3 OUTLIER 33.01 84.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.932 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.475 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 4.6 m -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 108' ' ' THR . 8.1 t0 -90.39 -47.25 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 111' ' ' GLN . 10.9 p -51.24 -51.05 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.649 ' HA ' HD11 ' A' ' 133' ' ' ILE . 1.5 pp0? -53.07 -52.79 57.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.493 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 40.6 ttp180 -53.45 -18.45 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -42.84 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.518 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 8.8 m -77.86 -48.08 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.074 HD21 HG22 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -47.7 -51.3 22.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.68 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 3.9 t-80 -59.98 -40.27 88.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -56.74 -18.71 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.719 HG12 HD21 ' A' ' 129' ' ' LEU . 0.7 OUTLIER -83.63 -36.94 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.829 ' CE2' ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -50.29 -28.19 7.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -78.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 175.52 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.81 -69.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 129' ' ' LEU . 21.1 mtmt -140.95 37.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HA ' HG23 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -40.29 -49.5 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.692 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.04 -87.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 125' ' ' PRO . 4.3 m 6.64 79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.632 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.2 OUTLIER -39.2 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 132' ' ' THR . 4.1 tp10 -70.06 -50.41 41.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 1.036 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -39.38 -52.48 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 1.036 ' N ' HD13 ' A' ' 129' ' ' LEU . 4.7 tt0 -56.49 -42.7 78.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 127' ' ' LYS . 1.9 mp -81.88 -3.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 128' ' ' GLU . 35.8 m -90.03 -45.21 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.794 ' O ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -72.94 -42.15 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.669 ' HB3' HG23 ' A' ' 144' ' ' VAL . 2.1 p -67.52 -44.32 78.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 131' ' ' ILE . 61.2 tt0 -71.46 -32.39 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 132' ' ' THR . 54.8 tt0 -76.44 -45.38 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 38.16 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.715 ' C ' HD23 ' A' ' 139' ' ' LEU . . . 172.6 -117.56 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER 175.14 -35.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.39 -171.92 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.4 pp -100.42 -7.59 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.764 ' HB3' HG13 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -48.82 -61.06 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.659 HG23 ' HB2' ' A' ' 134' ' ' SER . 0.5 OUTLIER -40.08 -53.4 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 1.074 HG22 HD21 ' A' ' 115' ' ' LEU . 25.0 t -50.42 -41.84 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.84 -38.29 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -52.85 40.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.68 ' CE1' ' HA ' ' A' ' 116' ' ' HIS . 3.1 t80 -78.99 -67.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.741 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 4.7 m-30 -34.4 -42.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -71.67 -51.88 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.43 -55.48 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.829 ' HB1' ' CE2' ' A' ' 119' ' ' PHE . . . -68.27 -70.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.923 HG23 HG21 ' A' ' 12' ' ' VAL . 1.5 mp 62.99 101.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -79.33 -174.39 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.782 HG22 HD21 ' A' ' 46' ' ' LEU . 1.2 m -95.3 -58.28 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.65 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -86.37 -44.38 12.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -22.1 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.923 HG21 HG23 ' A' ' 7' ' ' ILE . 1.2 t -72.51 -61.24 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.653 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -43.62 -56.0 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.57 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.699 HG21 ' HG2' ' A' ' 65' ' ' MET . 3.3 mt -38.81 -39.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.745 ' HA ' HD11 ' A' ' 25' ' ' ILE . 2.3 m -61.55 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' ARG . 88.9 m -90.78 -1.37 57.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -96.36 -27.85 14.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.904 HD21 ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -85.4 -93.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -80.42 -6.95 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 84.56 -18.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.259 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 167.87 38.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -170.97 63.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 17' ' ' THR . 38.9 mm -59.23 115.93 14.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLN . 18.1 Cg_endo -75.0 83.65 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.599 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 2.9 mp0 -38.02 -42.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -63.67 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.664 HG21 ' HA ' ' A' ' 79' ' ' ALA . 39.7 mm -57.44 -57.08 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.904 ' CE1' HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.69 -17.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -92.71 -34.42 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -92.13 -0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CZ ' ' OG ' ' A' ' 78' ' ' SER . 0.1 OUTLIER -91.52 -78.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.646 HG13 HD22 ' A' ' 35' ' ' LEU . 7.2 p -123.24 -58.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.646 HD22 HG13 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -61.52 166.6 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.57 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -90.36 -49.27 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 89.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -170.85 139.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -103.81 64.21 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' THR . . . 99.35 34.54 5.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.541 ' OG1' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -34.63 -36.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.922 HD21 ' CD1' ' A' ' 62' ' ' PHE . 1.8 mt -39.44 -49.33 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -45.01 71.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -49.14 -59.42 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.652 HD12 HD12 ' A' ' 46' ' ' LEU . 1.3 pp -61.33 -21.06 63.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.782 HD21 HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -87.35 1.73 52.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -41.42 -28.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 46' ' ' LEU . 7.2 p-10 -86.95 152.8 54.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.0 OUTLIER -156.55 85.89 3.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.79 11.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.807 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 5.4 m0 54.53 53.79 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.641 ' H ' HG21 ' A' ' 9' ' ' THR . 31.1 t -90.12 -41.61 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 75.75 17.81 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER 39.43 68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -47.96 -44.6 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 m -97.0 59.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.52 55.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -43.36 56.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.3 -32.92 51.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.657 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -58.64 -66.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.922 ' CD1' HD21 ' A' ' 42' ' ' LEU . 2.0 m-85 -43.09 -52.97 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' TRP . 10.7 ttm180 -54.48 -54.59 38.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -36.63 -42.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.699 ' HG2' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.38 -47.77 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.77 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 2.6 m0 -54.71 -30.45 56.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.065 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.97 -54.13 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.621 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.1 t90 -46.74 -52.42 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.525 ' CD2' HD13 ' A' ' 20' ' ' LEU . 3.5 mt -50.45 -47.76 56.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -71.76 -75.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 60.4 136.15 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.97 63.32 5.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 39.09 73.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.07 36.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 76' ' ' ARG . 5.9 pt20 -112.13 -24.36 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -71.0 60.24 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -173.12 -40.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.494 ' OG ' ' CZ ' ' A' ' 33' ' ' ARG . 15.1 m -75.76 -72.92 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.664 ' HA ' HG21 ' A' ' 29' ' ' ILE . . . -41.87 127.54 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.65 94.81 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.77 125.6 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 85' ' ' CYS . 1.6 tt -93.96 88.33 5.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 125' ' ' PRO . . . -87.55 58.32 4.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.78 84.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.452 ' HB2' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER 179.78 150.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.269 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.71 -61.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 73.21 -63.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.75 64.45 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.56 172.58 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.16 167.48 19.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.242 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.9 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.2 m80 64.82 169.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.605 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 54.16 170.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.99 127.72 27.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 0.8 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -123.58 -60.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? 69.22 159.6 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.18 120.97 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.11 171.13 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 99' ' ' THR . 15.4 t -123.2 111.32 30.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.2 27.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -135.36 160.48 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.79 158.54 80.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 179.95 5.61 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -178.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.88 97.95 6.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 143' ' ' THR . 88.4 t -121.11 -88.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 106' ' ' VAL . 32.5 m-85 32.76 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 111' ' ' GLN . 9.5 t -106.11 175.29 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -92.02 -46.87 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.523 ' HB ' HD22 ' A' ' 137' ' ' LEU . 15.9 m -40.46 -49.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.971 ' NE2' HG21 ' A' ' 143' ' ' THR . 0.0 OUTLIER -70.08 -55.33 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.2 ptt180 -54.08 -16.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -82.01 -39.92 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.559 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 16.3 m -74.6 -55.86 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.028 HD22 ' CE2' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -55.12 -36.15 65.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.623 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 30.6 t-80 -67.11 -31.68 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.16 -18.15 61.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.96 HG13 HD11 ' A' ' 129' ' ' LEU . 0.9 OUTLIER -75.98 -44.7 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -41.74 -27.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 118' ' ' ILE . 10.4 mmtt -68.5 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -179.25 104.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.412 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -155.34 -62.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.672 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -160.13 41.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 18.6 mtm180 -58.17 -42.63 95.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.01 56.43 4.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 m -153.41 105.89 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.44 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -30.79 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.96 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -61.5 -53.72 52.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.573 ' HG3' ' CE2' ' A' ' 148' ' ' PHE . 0.0 OUTLIER -49.68 -36.16 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.1 mp -83.56 -24.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 129' ' ' LEU . 49.7 m -68.05 -48.47 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.84 HG21 ' HG ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -66.16 -44.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 139' ' ' LEU . 2.2 p -58.59 -40.29 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -80.54 -21.14 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -62.42 -42.17 99.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.523 HD22 ' HB ' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -126.37 23.54 6.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . 177.31 -120.42 0.73 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 168.85 -32.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -76.8 146.59 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.17 -6.83 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.491 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 12.9 m -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.971 HG21 ' NE2' ' A' ' 111' ' ' GLN . 15.2 p -65.72 -49.19 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.768 ' HA ' HD12 ' A' ' 115' ' ' LEU . 47.8 t -41.62 -53.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -52.48 -44.88 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 145' ' ' SER . 20.1 t-20 -36.77 -49.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 1.028 ' CE2' HD22 ' A' ' 115' ' ' LEU . 6.3 t80 -91.65 -69.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 130' ' ' GLN . 1.2 m-30 -34.5 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -87.58 -49.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 147' ' ' PHE . 9.0 t30 -65.09 -45.99 82.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.742 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -79.44 -62.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.554 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 0.9 OUTLIER -78.27 -27.47 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.605 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER 74.92 161.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.704 HG21 ' HA ' ' A' ' 52' ' ' TRP . 11.6 p -102.3 -39.13 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 25.8 tttt -90.35 -49.2 6.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.2 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.746 HG21 ' NE1' ' A' ' 66' ' ' TRP . 6.3 p -67.46 -47.61 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -50.15 -58.65 5.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.59 -45.38 93.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 1.3 mtp85 -51.85 -32.65 32.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 13' ' ' ALA . 9.4 mt -65.52 -63.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -55.29 -25.67 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -91.08 -19.58 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 2.4 mm-40 -93.82 -16.39 24.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.854 ' HB3' HD13 ' A' ' 25' ' ' ILE . 1.2 mt -90.22 -93.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -91.46 1.15 57.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 88.02 -24.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 164.48 37.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 178.24 72.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.854 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -91.49 140.85 25.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.06 85.71 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.718 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.18 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.68 -51.23 70.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.941 HG23 ' HB3' ' A' ' 79' ' ' ALA . 11.1 mt -76.14 -44.28 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.3 t80 -66.94 -4.65 10.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -91.16 -52.08 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.55 0.4 55.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.96 ' NE ' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -77.73 -66.81 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.705 HG22 ' NE ' ' A' ' 76' ' ' ARG . 90.2 t -120.33 -73.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.615 HD23 ' CB ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -109.51 149.51 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -51.82 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.337 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.818 ' HB3' HG21 ' A' ' 41' ' ' THR . 9.0 mmt85 -59.96 150.25 29.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 48.8 m -167.81 -178.35 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 78.31 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.09 31.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.818 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -51.76 -20.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.458 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.818 HD13 ' SD ' ' A' ' 65' ' ' MET . 1.1 mp -66.14 -54.33 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.425 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -56.55 -17.67 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' OD1' ' CA ' ' A' ' 93' ' ' GLY . 0.3 OUTLIER -69.77 -56.81 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -79.64 -15.63 57.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 62' ' ' PHE . 3.1 mm? -91.53 -6.53 52.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.4 ttt180 -38.18 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.508 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -59.04 178.24 0.22 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.02 58.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.575 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER 31.69 56.53 1.07 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 16.23 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.704 ' HA ' HG21 ' A' ' 9' ' ' THR . 5.3 m-90 71.28 40.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' TRP . 3.2 t -36.74 -66.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 69.84 18.34 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.17 HD23 ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm? 38.3 74.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -62.42 -32.51 73.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -84.48 50.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.77 58.91 0.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -50.18 -29.65 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.15 -29.71 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.9 m -66.53 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 1.17 ' CD1' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -42.46 -54.04 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.7 ttt-85 -64.84 -54.92 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.65 ' O ' HG11 ' A' ' 34' ' ' VAL . 6.4 mtt180 -36.95 -38.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.818 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -68.17 -51.62 43.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.746 ' NE1' HG21 ' A' ' 12' ' ' VAL . 2.0 m0 -54.96 -24.61 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 2.2 mttt -76.18 -31.05 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.653 ' CE3' HD22 ' A' ' 20' ' ' LEU . 5.8 t90 -62.39 -44.07 97.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD22 HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.31 -20.78 29.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 3.1 tp60 -50.9 -61.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' GLN . 22.8 mm-40 -37.17 152.44 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -74.94 52.88 3.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER 34.29 81.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.453 ' N ' ' SD ' ' A' ' 77' ' ' MET . 3.7 t80 -167.59 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.2 -63.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.705 ' NE ' HG22 ' A' ' 34' ' ' VAL . 2.2 mtt180 -82.92 74.86 9.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.565 ' HA ' ' CH2' ' A' ' 68' ' ' TRP . 0.0 OUTLIER 179.57 -36.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.452 ' N ' ' HE2' ' A' ' 77' ' ' MET . 12.8 p -109.42 29.0 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.96 ' HB2' ' NE ' ' A' ' 33' ' ' ARG . . . -44.38 129.0 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.33 125.43 34.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.59 -69.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.3 mt -142.52 -178.58 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.35 -68.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.9 157.96 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.2 p -178.0 -176.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp 69.48 142.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.6 127.51 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -76.68 123.56 26.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.83 75.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -48.51 129.03 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -148.93 128.3 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -124.75 122.28 37.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.594 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' CA ' ' OD1' ' A' ' 44' ' ' ASP . . . 46.78 -173.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.413 1.07 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 107.44 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 176.21 107.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.8 169.04 25.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.46 137.1 2.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -178.49 164.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.9 p -140.11 88.88 11.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.41 42.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.786 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -133.56 132.79 41.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.95 154.64 30.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.9 4.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -132.34 152.44 51.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.449 HD21 ' HD2' ' A' ' 107' ' ' PHE . 1.0 OUTLIER 62.48 130.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 107' ' ' PHE . 14.5 m -137.96 -52.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.449 ' HD2' HD21 ' A' ' 105' ' ' LEU . 0.4 OUTLIER 37.01 80.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 110' ' ' VAL . 35.7 m -107.96 152.17 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.52 -38.35 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.692 HG11 HD22 ' A' ' 137' ' ' LEU . 58.4 t -59.12 -46.81 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.82 ' HA ' HD11 ' A' ' 133' ' ' ILE . 0.7 OUTLIER -67.75 -58.63 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.788 HH21 ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -50.38 -21.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.21 -37.67 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.547 HG21 HG12 ' A' ' 133' ' ' ILE . 30.9 m -67.86 -59.59 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 133' ' ' ILE . 3.3 tp -56.45 -45.86 80.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.788 ' CG ' HH21 ' A' ' 112' ' ' ARG . 20.8 t-80 -53.79 -28.72 36.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -79.21 -21.6 46.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.536 HG13 HD11 ' A' ' 129' ' ' LEU . 27.5 mm -70.87 -45.24 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.5 t80 -38.31 -35.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -56.19 -68.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.8 mt-10 165.99 101.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -154.01 -70.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.7 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -139.47 15.54 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 1.3 ttp180 -34.51 -53.55 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.98 67.77 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 36.6 m -165.05 89.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.6 OUTLIER -48.82 -32.91 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -37.09 86.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.7 HD13 ' CB ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -61.39 -52.49 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.762 ' HG3' HG11 ' A' ' 144' ' ' VAL . 3.3 tm0? -46.46 -35.92 6.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 127' ' ' LYS . 5.5 mt -86.17 -24.6 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 97.9 m -68.09 -47.85 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.832 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -65.37 -45.9 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 139' ' ' LEU . 1.0 OUTLIER -63.54 -36.92 85.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.65 -8.32 58.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -46.52 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.692 HD22 HG11 ' A' ' 110' ' ' VAL . 1.9 mp -127.59 28.5 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.495 ' O ' HD23 ' A' ' 139' ' ' LEU . . . -171.03 -121.3 0.58 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.55 HD12 ' HG2' ' A' ' 140' ' ' GLU . 0.5 OUTLIER 170.92 -40.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.55 ' HG2' HD12 ' A' ' 139' ' ' LEU . 43.1 mm-40 -78.85 161.0 27.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 141' ' ' LEU . 0.6 OUTLIER -86.54 0.43 54.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -56.67 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 144' ' ' VAL . 2.3 t -52.6 -52.89 53.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.762 HG11 ' HG3' ' A' ' 130' ' ' GLN . 62.9 t -41.64 -46.9 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.27 -44.26 75.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -42.35 -45.51 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.595 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.2 t80 -90.34 -71.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.716 ' CD1' HG13 ' A' ' 144' ' ' VAL . 5.0 m-85 -34.3 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -82.55 -51.68 7.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 147' ' ' PHE . 28.1 t30 -62.99 -47.95 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.595 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -77.54 -66.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.756 ' C ' HG23 ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER 70.68 -45.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.578 ' HB2' HD12 ' A' ' 7' ' ' ILE . 0.5 OUTLIER 157.27 166.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.602 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 60.5 p -103.21 -46.45 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.65 -39.38 9.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -30.19 69.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.778 HG23 HG12 ' A' ' 7' ' ' ILE . 7.1 p -67.17 -55.02 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.756 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -45.28 -40.32 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -78.34 -36.53 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -63.37 -30.22 71.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.821 HD13 ' HG2' ' A' ' 65' ' ' MET . 6.0 mt -69.96 -52.91 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.711 HG22 ' HA ' ' A' ' 23' ' ' TYR . 89.2 m -69.71 -21.6 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 m -91.57 -27.76 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 7.3 tt0 -85.65 -54.91 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.763 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -46.15 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.4 tmtt? -90.21 -57.67 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.57 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 157.79 -23.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.711 ' HA ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER 170.92 37.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER 164.91 75.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.038 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.718 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -67.39 137.95 93.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.639 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.4 Cg_endo -74.96 106.38 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.3 mp0 -35.02 -68.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -31.97 -50.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' ' 26' ' ' PRO . 1.6 mp -59.5 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -60.92 -10.83 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -92.41 -36.31 13.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -91.98 -12.31 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' HG2' ' NE1' ' A' ' 68' ' ' TRP . 5.6 mpt_? -79.47 -82.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG13 HD13 ' A' ' 35' ' ' LEU . 10.1 p -123.43 -54.87 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD22 ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -69.48 169.98 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.659 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 1.4 t -95.49 -40.41 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.12 92.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 m -166.28 131.94 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.462 ' OE1' ' CG ' ' A' ' 27' ' ' GLN . 6.9 pm0 -127.62 69.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.33 28.95 6.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.601 HG22 ' HE2' ' A' ' 65' ' ' MET . 1.8 t -50.94 -19.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.625 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mp -69.12 -52.12 31.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -20.51 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.982 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -59.05 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -68.37 -20.32 64.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.692 HD21 ' CE1' ' A' ' 62' ' ' PHE . 2.8 mm? -85.48 -20.75 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -39.52 -35.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.403 ' ND2' ' HD3' ' A' ' 50' ' ' LYS . 33.8 p30 -66.04 146.38 99.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 70.93 5.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HD3' ' ND2' ' A' ' 48' ' ' ASN . 2.5 mtpp -133.37 90.06 30.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 126.8 10.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.515 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 0.6 OUTLIER 70.69 50.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 4.7 t -84.37 -60.65 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.596 ' HZ3' ' N ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER 90.04 43.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.715 HD23 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 38.21 55.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -26.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 55' ' ' LEU . 12.5 m -100.16 62.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.82 61.87 0.51 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.11 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -47.91 -42.97 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 3.0 m -53.59 -55.75 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.715 ' CE1' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -45.53 -35.97 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.517 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.5 ttp85 -76.39 -31.25 57.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.517 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -61.4 -33.62 73.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.821 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.27 -58.63 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.762 ' NE1' HG21 ' A' ' 12' ' ' VAL . 3.7 m0 -46.63 -27.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -64.88 -53.34 48.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.8 t90 -47.09 -49.49 21.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.763 HD23 ' CD1' ' A' ' 20' ' ' LEU . 22.2 mt -54.7 -40.55 69.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -79.07 -77.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER 66.66 165.78 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.77 7.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -171.2 -76.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -174.4 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' NE2' ' HD2' ' A' ' 33' ' ' ARG . 2.2 mm-40 68.72 81.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.0 OUTLIER 71.75 18.37 5.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 0.2 OUTLIER 83.36 -46.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.0 p 178.32 81.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.469 ' CB ' HG21 ' A' ' 29' ' ' ILE . . . 56.96 -159.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tt -125.03 -71.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 175.15 143.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.12 178.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 126' ' ' SER . . . -177.38 -62.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.42 167.38 12.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.4 p -163.2 132.14 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.331 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -177.75 6.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.91 136.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.83 174.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.67 133.1 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 62.53 103.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -112.28 -40.26 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.1 m170 61.53 96.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.46 173.47 49.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.57 110.65 23.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -173.78 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.03 156.91 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.8 110.36 0.25 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -174.25 159.79 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.21 111.06 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 172.77 15.72 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.766 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 144.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 156.93 31.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 134.05 17.45 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 173.81 153.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.24 97.31 5.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.698 HG22 ' N ' ' A' ' 107' ' ' PHE . 1.0 OUTLIER -60.01 -92.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.698 ' N ' HG22 ' A' ' 106' ' ' VAL . 0.4 OUTLIER 56.53 76.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 m -117.99 171.61 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.48 -42.04 11.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.2 t -50.1 -51.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.698 ' HA ' HD11 ' A' ' 133' ' ' ILE . 6.4 mt-30 -64.23 -57.35 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 3.9 tmm_? -44.13 -26.69 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 111' ' ' GLN . 5.1 mtp180 -76.32 -43.5 40.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.546 HG21 HG12 ' A' ' 133' ' ' ILE . 39.4 m -61.12 -61.89 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.883 HD13 HG21 ' A' ' 133' ' ' ILE . 4.2 tp -55.1 -41.48 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 41.7 t60 -53.89 -27.99 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.39 -22.2 30.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.737 HG13 HD21 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -66.68 -44.67 89.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.573 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.3 t80 -40.81 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.33 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 1.1 pt-20 161.67 111.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 17.0 t30 -176.55 -76.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.661 ' O ' HD12 ' A' ' 129' ' ' LEU . 18.1 mmtt -133.36 35.36 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 63.6 mtm180 -56.34 -41.18 89.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.96 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.0 m -27.6 92.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.3 mmtt -46.89 -32.78 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 131' ' ' ILE . 21.1 tp10 -66.07 -54.24 28.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -42.16 -45.57 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 1.008 ' N ' HD13 ' A' ' 129' ' ' LEU . 11.3 tt0 -55.12 -43.1 73.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' GLU . 19.1 mm -84.06 -11.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 67.7 m -75.76 -43.12 48.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.883 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.81 -47.3 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.578 ' HA ' HG21 ' A' ' 143' ' ' THR . 1.0 OUTLIER -56.32 -38.23 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -84.43 -27.79 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.635 ' HB3' HD22 ' A' ' 137' ' ' LEU . 2.8 tp-100 -47.26 -50.41 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.7 OUTLIER -113.73 -26.21 8.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -115.66 -136.05 5.88 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.48 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.564 ' CB ' HG12 ' A' ' 106' ' ' VAL . 0.4 OUTLIER -76.58 -179.44 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 141' ' ' LEU . 1.5 pp -100.49 2.95 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.443 ' HB3' ' N ' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -49.77 -59.72 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.578 HG21 ' HA ' ' A' ' 134' ' ' SER . 1.4 t -48.67 -57.07 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.748 HG13 ' CD1' ' A' ' 148' ' ' PHE . 62.2 t -40.75 -41.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.6 OUTLIER -58.94 -47.43 85.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 143' ' ' THR . 28.4 t-20 -43.13 -42.82 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.647 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.4 t80 -87.59 -73.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.748 ' CD1' HG13 ' A' ' 144' ' ' VAL . 7.0 m-85 -35.17 -33.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -79.69 -53.29 6.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -65.11 -49.29 70.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.647 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -70.53 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.811 HG23 HG21 ' A' ' 12' ' ' VAL . 2.6 mp 62.52 94.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.415 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 1.1 t30 -79.57 -165.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.751 ' O ' HD21 ' A' ' 46' ' ' LEU . 1.8 m -103.99 -55.88 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.9 ttpt -82.35 -49.96 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -57.51 -25.28 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.811 HG21 HG23 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -77.67 -59.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.552 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -45.73 -53.66 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' THR . 3.0 mm100 -62.97 -25.51 68.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -63.99 -65.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.74 HD13 ' HG2' ' A' ' 65' ' ' MET . 2.5 mp -46.77 -29.03 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.654 ' HA ' HD11 ' A' ' 25' ' ' ILE . 1.1 m -69.1 -49.87 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -90.34 -1.46 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -92.55 -56.37 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.764 HD11 ' CE3' ' A' ' 68' ' ' TRP . 1.8 mp -55.57 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 21' ' ' LYS . 3.4 tmtt? -87.99 -63.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.594 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 160.21 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 3.6 m-85 -179.89 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 m -162.62 65.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.664 HD11 ' O ' ' A' ' 16' ' ' ILE . 24.3 mm -57.4 116.09 12.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HB2' ' CG1' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.91 96.02 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.4 ' CA ' ' HB3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -51.22 -43.08 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.09 64.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.525 HG22 ' HG3' ' A' ' 33' ' ' ARG . 28.6 mm -84.39 -55.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -64.47 -9.66 20.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . . . -90.15 -42.35 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -92.14 -4.39 54.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HG3' HG22 ' A' ' 29' ' ' ILE . 12.2 mmt-85 -88.75 -81.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -123.16 -61.83 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.62 ' CD2' ' HE3' ' A' ' 65' ' ' MET . 3.2 mp -59.36 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -57.58 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -171.78 88.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.9 p -171.54 124.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 pp0? -107.77 71.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' SER . . . 112.97 30.0 2.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -27.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.736 ' O ' HD13 ' A' ' 46' ' ' LEU . 20.0 mt -67.02 -49.65 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLY . 23.9 m -65.84 -11.65 48.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' HA ' ' CA ' ' A' ' 93' ' ' GLY . 17.5 m-20 -90.93 -41.11 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 45' ' ' LEU . 1.1 tm? -82.57 -19.66 38.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.751 HD21 ' O ' ' A' ' 9' ' ' THR . 6.3 mp -80.95 -2.7 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.94 -38.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.478 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -77.3 135.31 65.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 119.25 4.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.32 9.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.5 m0 66.45 59.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.596 ' H ' HG21 ' A' ' 9' ' ' THR . 41.0 t -74.9 -10.65 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.03 32.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.917 HD23 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 41.95 75.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -45.1 18.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.52 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -146.91 97.99 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -45.91 -35.65 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.29 -32.24 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.8 m -59.21 -65.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.917 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 64' ' ' ARG . 6.2 ttt180 -62.22 -60.27 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -37.23 -33.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -71.88 -54.64 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.668 ' CH2' HG21 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -57.15 -24.83 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.9 -48.05 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.778 ' CZ2' ' HB2' ' A' ' 79' ' ' ALA . 2.9 t90 -51.07 -49.84 59.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.64 HD23 ' CD1' ' A' ' 20' ' ' LEU . 29.3 mt -47.0 -45.97 21.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -85.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 61.17 133.56 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.2 Cg_endo -75.02 46.78 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER 28.19 89.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.77 -66.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.459 ' CG ' ' HD3' ' A' ' 33' ' ' ARG . 5.2 pt20 -48.29 -58.69 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER 176.66 -32.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 41.0 52.2 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.65 -48.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.778 ' HB2' ' CZ2' ' A' ' 68' ' ' TRP . . . 46.52 93.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.251 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.5 -178.81 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -134.85 -173.75 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.652 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.4 mp -95.68 -171.84 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.67 174.36 9.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 61.81 158.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.6 p -109.5 171.3 7.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -174.76 96.35 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 66.31 140.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -112.49 -64.56 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 63.35 130.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -139.15 140.01 37.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -141.65 176.58 8.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.89 166.31 10.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.574 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.4 ' CA ' ' HA ' ' A' ' 44' ' ' ASP . . . -54.53 -168.41 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt 54.49 -176.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -46.88 152.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -140.49 172.4 12.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.57 -134.07 1.66 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -160.82 -56.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.244 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.4 m 63.5 86.36 0.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.25 166.77 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.11 90.12 35.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -175.75 2.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.97 175.09 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.13 105.04 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 107' ' ' PHE . 21.5 m -108.37 -54.5 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.567 ' N ' HG23 ' A' ' 106' ' ' VAL . 7.5 m-85 39.87 67.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 m -96.4 151.85 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.27 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.31 -45.41 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.826 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.4 mp0 -67.96 -58.59 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -53.98 -24.03 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -71.49 -37.53 71.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.484 ' HB ' HD11 ' A' ' 133' ' ' ILE . 7.5 m -70.06 -59.37 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 133' ' ' ILE . 10.5 tp -56.11 -47.38 78.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.592 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 16.3 t60 -48.23 -39.9 22.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -62.59 -32.14 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.795 HD13 ' HB2' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -69.59 -20.18 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -52.52 -19.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.76 66.48 1.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.795 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.7 OUTLIER -149.7 -80.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 121' ' ' GLU . 0.5 OUTLIER 159.35 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.567 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER 165.38 48.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 10.1 mtm105 -79.91 -40.83 1.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.97 -95.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 125' ' ' PRO . 2.2 m 26.57 85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.824 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -44.84 -26.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 126' ' ' SER . 8.3 tp10 -72.6 -41.72 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -61.68 -61.87 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.416 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 4.0 pt20 -40.13 -40.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.824 HD12 ' O ' ' A' ' 127' ' ' LYS . 9.9 mt -78.89 -35.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 129' ' ' LEU . 54.6 m -57.93 -58.8 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.826 HD11 ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -51.11 -57.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.561 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -49.21 -58.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 135' ' ' GLN . 4.9 tt0 -56.46 -30.1 62.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.878 ' HB3' HD22 ' A' ' 137' ' ' LEU . 10.6 tt0 -50.28 -60.03 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.878 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.3 OUTLIER -114.89 27.24 9.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -179.59 -125.8 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.542 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER 160.71 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 134' ' ' SER . 3.1 tp10 176.44 166.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.237 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -92.82 0.38 57.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.417 ' CB ' HG22 ' A' ' 106' ' ' VAL . 0.4 OUTLIER -61.27 -63.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.978 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 2.8 t -46.84 -47.08 21.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.641 ' CG1' ' CD2' ' A' ' 148' ' ' PHE . 66.2 t -44.69 -51.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.62 -32.65 63.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 143' ' ' THR . 19.8 t-20 -52.55 -49.92 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 151' ' ' ALA . 0.2 OUTLIER -87.92 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.641 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 3.7 m-30 -33.48 -36.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -88.18 -51.64 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 146' ' ' ASN . 4.0 m-20 -55.54 -41.6 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.626 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -89.63 -75.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.62 ' CG2' ' CZ3' ' A' ' 66' ' ' TRP . 2.9 mp 40.21 86.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.443 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 32.3 m-80 -116.07 -172.89 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.69 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 22.3 p -104.18 -56.4 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.364 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -92.36 -38.02 12.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -70.22 -24.05 63.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -78.22 -50.82 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HB1' ' N ' ' A' ' 43' ' ' SER . . . -44.09 -52.29 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -27.37 66.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.6 -64.52 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.809 HD13 HD12 ' A' ' 42' ' ' LEU . 3.7 mt -39.03 -44.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 23' ' ' TYR . 53.9 m -56.15 -48.43 76.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.637 HG23 ' HD2' ' A' ' 22' ' ' ARG . 23.6 m -90.76 -1.16 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.34 -52.8 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.841 ' HB3' HD13 ' A' ' 25' ' ' ILE . 1.8 mm? -55.08 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 4.7 tmtm? -90.93 -61.78 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HD2' HG23 ' A' ' 18' ' ' THR . 4.0 tpt85 166.57 -28.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 170.84 36.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m 174.6 73.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.19 140.62 49.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.507 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 90.58 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 5.8 mp0 -41.55 -28.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.13 -45.86 92.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -78.95 -51.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.617 ' CZ ' ' CE ' ' A' ' 65' ' ' MET . 0.6 OUTLIER -56.13 -14.51 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.63 -39.04 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -92.57 3.03 56.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' CD ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -89.57 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 64' ' ' ARG . 74.6 t -117.17 -85.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.815 HD23 ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -90.79 176.4 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -93.55 -44.06 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.56 ' HB3' HG21 ' A' ' 41' ' ' THR . 12.7 mtt-85 -64.55 112.23 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -116.6 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 71.9 46.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 49.85 41.26 35.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.56 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -37.99 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 46' ' ' LEU . 17.2 mt -56.66 -64.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -41.78 -50.09 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' HB3' ' CA ' ' A' ' 93' ' ' GLY . 80.8 m-20 -50.13 -61.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.854 ' O ' HD13 ' A' ' 45' ' ' LEU . 2.9 tm? -58.08 -23.29 54.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -84.82 4.92 30.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -32.34 -38.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' LEU . 7.0 p-10 -85.22 143.35 39.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 100.77 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -140.89 107.29 6.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 128.61 11.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.529 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 13.0 m0 47.73 52.02 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.7 t -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 91.93 32.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.846 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER 39.85 74.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -40.19 -40.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.63 -53.46 30.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.64 105.78 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -62.88 -15.66 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.9 p -49.54 -53.56 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.69 ' CZ ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -50.14 -62.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -57.8 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.815 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -41.53 -35.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.767 ' SD ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -72.06 -56.82 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.62 ' CZ3' ' CG2' ' A' ' 7' ' ' ILE . 1.8 m0 -54.85 -22.71 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -44.8 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CD2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -50.04 -53.6 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.737 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.11 -39.86 83.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -57.37 10.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -39.29 154.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.85 4.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.28 100.81 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -112.64 45.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 64.84 76.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.57 -57.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -40.72 51.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 m -150.94 -69.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.57 112.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 80' ' ' LEU . 5.8 tp -150.39 153.44 36.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.84 124.36 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 pp -159.6 120.55 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 66.63 163.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 83' ' ' ALA . . . 74.43 -66.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 42.42 85.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 108.337 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -43.73 155.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -141.65 166.19 25.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.42 122.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -173.35 122.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.339 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.41 133.57 21.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.25 166.85 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -152.26 137.18 17.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.567 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' ' 44' ' ' ASP . . . 62.15 -170.9 10.76 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' GLY . 1.6 tttp -38.93 142.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 94' ' ' LYS . 3.4 p-10 -39.82 128.44 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -178.18 85.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -172.85 -175.73 40.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -166.64 171.4 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.5 m -157.92 109.48 1.76 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -174.12 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.56 -177.92 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.06 111.43 0.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 170.77 19.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.85 -176.67 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tp -145.65 115.59 7.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.759 HG22 ' N ' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -112.04 -78.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.759 ' N ' HG22 ' A' ' 106' ' ' VAL . 2.3 t80 51.38 84.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -118.47 166.6 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.07 -37.7 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.33 -51.14 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.546 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -57.16 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -45.6 -32.43 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.484 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 49.8 m -68.72 -60.61 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.838 HD22 HG22 ' A' ' 144' ' ' VAL . 6.6 tp -57.14 -43.65 82.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.641 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 6.4 t-80 -51.81 -33.95 37.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.63 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.66 -22.79 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.957 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -69.46 -40.12 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.641 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -42.73 -32.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.9 mttm -49.23 -65.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.1 mt-10 162.89 107.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.25 -65.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.934 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -148.8 47.03 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 26.9 mtm105 -52.5 -43.95 93.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.644 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -74.99 -90.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.644 ' C ' ' O ' ' A' ' 125' ' ' PRO . 14.4 m 15.02 75.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 126' ' ' SER . 2.0 mmtm -39.68 -34.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.86 -50.74 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.957 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -44.19 -56.74 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.693 ' HG3' HG21 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -43.75 -46.59 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.0 mt -74.85 -26.05 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' ' 129' ' ' LEU . 6.8 m -65.06 -53.08 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.744 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.01 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.541 ' HA ' HG21 ' A' ' 143' ' ' THR . 1.0 OUTLIER -48.63 -55.56 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.78 -24.29 66.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.0 tt0 -51.35 -57.85 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 mp -116.86 14.46 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.358 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.805 ' O ' HD23 ' A' ' 139' ' ' LEU . . . -147.27 -143.13 3.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 138' ' ' GLY . 12.0 mt -151.03 -46.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.514 ' CB ' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -88.23 177.69 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.74 1.4 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.421 ' HB2' HG13 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -44.33 -54.48 5.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.541 HG21 ' HA ' ' A' ' 134' ' ' SER . 1.2 t -51.1 -54.62 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.838 HG22 HD22 ' A' ' 115' ' ' LEU . 57.4 t -44.39 -43.66 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.4 OUTLIER -56.18 -40.8 74.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 143' ' ' THR . 55.0 t-20 -49.81 -54.08 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.6 t80 -73.99 -65.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 115' ' ' LEU . 3.8 m-85 -40.0 -27.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.8 ttp -87.71 -53.52 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -78.48 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' PHE . 46.7 ttt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.573 HG21 ' CE2' ' A' ' 66' ' ' TRP . 1.3 tp -156.45 121.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.01 179.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.73 ' O ' HD21 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -101.41 -44.86 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.636 ' HA ' HD23 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -91.89 -36.31 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.59 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 16' ' ' ILE . 5.4 p -68.46 -44.46 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 42' ' ' LEU . . . -59.54 -59.08 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -26.75 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 19' ' ' GLU . 16.3 ttt180 -67.5 -64.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.4 mt -40.74 -32.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 1.1 m -68.03 -48.84 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' ARG . 8.7 m -89.18 -1.43 58.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.05 -41.14 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.029 HD23 HD13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -76.42 -87.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.3 tmtt? -79.72 -67.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 166.43 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 174.0 36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m 174.88 72.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.029 HD13 HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.58 137.44 88.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.614 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 96.2 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.652 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -41.25 -28.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -65.43 -36.6 84.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.639 HG23 ' HB3' ' A' ' 79' ' ' ALA . 34.5 mm -76.51 -54.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CE2' ' HE2' ' A' ' 65' ' ' MET . 0.1 OUTLIER -64.99 -7.29 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.28 -41.38 11.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -92.42 -7.31 47.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HG3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.31 -80.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 35' ' ' LEU . 22.9 m -123.56 -59.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.6 ' H ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -66.9 160.14 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.619 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -77.19 -53.05 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -168.66 96.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -170.3 127.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' HB2' HG23 ' A' ' 25' ' ' ILE . 1.2 pp0? -110.65 57.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 116.07 29.18 2.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.534 HG22 ' HE3' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.9 -28.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.743 ' O ' HD13 ' A' ' 46' ' ' LEU . 23.7 mt -64.04 -57.53 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.7 m -64.17 -12.85 44.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -85.94 -48.84 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.776 ' O ' HD13 ' A' ' 45' ' ' LEU . 3.0 tm? -75.56 -20.0 58.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 42' ' ' LEU . 7.7 mp -80.3 0.33 33.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -35.9 -58.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -68.17 155.33 92.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.424 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.0 109.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -157.12 93.64 2.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.28 13.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.3 m0 63.58 38.97 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.719 ' H ' HG21 ' A' ' 9' ' ' THR . 1.2 t -65.37 -42.93 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 66.78 10.19 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.74 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 49.72 64.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -45.76 -45.3 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.0 87.58 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -71.29 -36.62 71.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 0.763 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -53.53 -35.89 61.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -55.9 -66.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -40.61 -39.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ARG . 2.1 ttt180 -66.96 -58.37 5.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' ARG . 70.3 mtt-85 -37.58 -40.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.669 ' HE2' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -65.79 -59.01 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 1.8 m0 -51.38 -26.99 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -69.02 -35.0 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.683 ' CE3' HD11 ' A' ' 20' ' ' LEU . 7.1 t90 -56.81 -43.51 81.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -85.09 -34.35 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.503 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 5.0 tt0 -78.65 2.67 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.59 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 1.4 mm-40 -131.72 54.87 15.52 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.59 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -74.98 -27.81 9.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -36.71 93.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' PRO . 3.2 m-85 54.94 67.11 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -104.58 15.2 28.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.08 26.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 48.84 51.28 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ALA . 28.3 p 60.78 73.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.639 ' HB3' HG23 ' A' ' 29' ' ' ILE . . . -40.57 151.67 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.26 120.41 6.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 175.34 161.5 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.407 HD21 ' OG ' ' A' ' 126' ' ' SER . 0.2 OUTLIER -112.68 168.8 9.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.5 -163.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.478 ' HB2' ' HB2' ' A' ' 125' ' ' PRO . . . -112.21 150.98 30.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.63 172.52 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' ARG . 18.8 mttt -52.15 171.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' LYS . 2.0 ttp180 -38.82 110.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -117.56 -179.37 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 90' ' ' GLN . 6.1 tt0 64.65 119.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER 167.63 73.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.17 71.28 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -175.9 95.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -41.52 163.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.434 1.083 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.23 166.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.08 167.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -164.42 170.08 16.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.471 ' O ' ' ND2' ' A' ' 98' ' ' ASN . . . 141.38 151.06 5.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 97' ' ' GLY . 0.5 OUTLIER 175.9 145.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 0.735 . . . . 0.0 109.362 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 m -162.48 86.23 1.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.68 5.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.98 112.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -172.46 149.48 2.05 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -176.26 2.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.787 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.78 64.52 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 tp -167.52 129.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.454 HG21 ' HB3' ' A' ' 140' ' ' GLU . 96.9 t -138.5 -79.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.422 ' CE1' ' CG ' ' A' ' 146' ' ' ASN . 6.6 t80 44.55 80.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 111' ' ' GLN . 2.5 m -110.57 147.59 33.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -75.48 -47.46 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 137' ' ' LEU . 77.1 t -55.89 -48.51 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.617 ' H ' HG22 ' A' ' 108' ' ' THR . 5.5 mm100 -61.62 -60.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -21.67 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.7 OUTLIER -75.46 -35.82 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.538 ' CG2' HG13 ' A' ' 133' ' ' ILE . 35.1 m -77.57 -53.12 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -55.48 -43.66 75.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.665 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 38.3 t60 -57.18 -41.77 79.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.35 -18.37 64.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.571 HG12 HD21 ' A' ' 129' ' ' LEU . 0.6 OUTLIER -73.68 -42.0 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -37.31 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -106.22 -39.65 5.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.539 ' CB ' HD12 ' A' ' 118' ' ' ILE . 0.9 OUTLIER -37.44 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 7.1 p-10 154.54 -20.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 129' ' ' LEU . 20.1 mtmt -83.91 17.44 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.628 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -52.6 -44.0 93.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.2 Cg_endo -75.03 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.602 ' C ' ' O ' ' A' ' 125' ' ' PRO . 19.3 m -21.38 94.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.716 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.3 OUTLIER -51.18 -25.02 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.81 -25.88 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -72.68 -55.58 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.997 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -54.23 -32.0 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 127' ' ' LYS . 24.4 mt -83.98 -31.33 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 m -64.75 -46.78 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.644 HG21 ' HG ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.97 -56.7 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 133' ' ' ILE . 39.1 p -48.17 -34.87 10.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.03 -23.29 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -50.57 -55.27 16.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.518 HD12 ' OE1' ' A' ' 111' ' ' GLN . 1.5 mp -123.1 22.92 9.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -160.34 -130.62 1.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 176.76 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.454 ' HB3' HG21 ' A' ' 106' ' ' VAL . 5.7 tp10 -84.21 164.8 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 144' ' ' VAL . 0.3 OUTLIER -89.09 0.27 56.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.417 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.6 OUTLIER -47.41 -55.89 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 3.1 t -60.47 -48.01 83.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.875 ' HA ' HD12 ' A' ' 115' ' ' LEU . 79.3 t -40.87 -55.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -51.44 -41.73 61.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 143' ' ' THR . 34.9 t-20 -41.07 -50.68 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.839 ' HD2' HD13 ' A' ' 115' ' ' LEU . 2.4 t80 -91.29 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.449 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 1.7 m-30 -34.53 -34.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -87.0 -50.25 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.17 -45.34 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.708 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.97 -63.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.596 HG21 ' CE3' ' A' ' 66' ' ' TRP . 1.9 mp 64.2 110.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.43 -171.1 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.539 HG23 ' HE2' ' A' ' 62' ' ' PHE . 1.2 m -102.36 -47.34 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HA ' HD23 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -96.77 -42.77 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -32.05 72.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.741 HG21 ' NE1' ' A' ' 66' ' ' TRP . 7.5 p -55.13 -55.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -47.23 -58.4 4.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.9 -21.49 63.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -73.14 -58.53 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 13' ' ' ALA . 3.1 mt -43.4 -33.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.6 m -69.3 -50.63 44.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -82.74 -2.65 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.68 -60.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.852 HD11 ' CE3' ' A' ' 68' ' ' TRP . 1.4 mp -56.89 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -85.65 -75.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.547 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 173.55 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.763 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER 177.42 35.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -162.42 61.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.06 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 39' ' ' GLN . 17.4 mm -58.83 120.46 46.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.01 85.1 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' OE1' ' CD ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -43.1 -29.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.29 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -78.69 -46.15 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 38' ' ' SER . 4.4 t80 -59.65 -13.3 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 35' ' ' LEU . . . -89.27 -54.39 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -79.81 1.15 27.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CG ' HG23 ' A' ' 29' ' ' ILE . 4.1 mmm180 -90.04 -67.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.758 HG23 ' CD1' ' A' ' 68' ' ' TRP . 21.8 t -114.49 -76.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -127.15 145.26 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -49.05 -42.11 37.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' O ' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.61 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.737 ' O ' HG22 ' A' ' 41' ' ' THR . 41.3 t -59.19 148.22 32.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.611 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -39.0 -42.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -41.46 -24.75 0.14 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 38' ' ' SER . 3.1 t -57.04 -35.42 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.851 HD11 ' HA ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -72.93 -58.31 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.3 p -65.67 -9.41 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' GLY . 4.2 m-20 -73.79 -53.9 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -78.52 -19.97 51.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.652 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -91.18 0.52 57.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' LEU . 9.3 ttt85 -33.74 -40.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -74.73 131.44 79.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 86.64 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -129.45 144.3 52.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.622 ' HB2' ' CE3' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 112.49 3.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.622 ' CE3' ' HB2' ' A' ' 51' ' ' PRO . 2.8 m-90 44.75 90.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 4.1 t -89.13 -40.4 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER 81.06 83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.671 HD12 ' HE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -38.38 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -65.45 -24.67 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -56.37 -48.77 76.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.809 ' O ' HG22 ' A' ' 61' ' ' THR . . . -177.55 107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -11.28 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.68 -56.24 11.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.809 HG22 ' O ' ' A' ' 58' ' ' GLY . 9.0 t -48.06 -34.55 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.851 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -58.68 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.532 ' HA ' ' CD2' ' A' ' 66' ' ' TRP . 8.8 ttt180 -60.48 -33.28 72.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.831 ' HB3' HD21 ' A' ' 35' ' ' LEU . 32.7 mmt180 -53.4 -63.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.148 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.764 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -45.9 -44.33 14.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.741 ' NE1' HG21 ' A' ' 12' ' ' VAL . 6.8 m0 -53.54 -31.44 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ARG . 5.5 mtpp -61.94 -45.69 92.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.852 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.8 t90 -45.17 -46.1 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.976 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.6 HD23 ' CD1' ' A' ' 20' ' ' LEU . 27.9 mt -52.88 -41.76 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -60.63 -42.43 96.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' OE1' ' CA ' ' A' ' 76' ' ' ARG . 13.5 mt-10 65.42 141.44 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -75.06 53.65 3.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' PRO . 1.2 mp0 59.94 123.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 57.78 80.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' C ' ' OE1' ' A' ' 71' ' ' GLU . 3.1 mt-30 -173.06 36.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' CA ' ' OE1' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -105.44 44.27 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.62 34.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.93 -68.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.501 ' HB2' ' CZ2' ' A' ' 68' ' ' TRP . . . -41.67 101.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.49 113.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -87.13 92.01 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 149.33 45.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.552 ' HB1' ' H ' ' A' ' 128' ' ' GLU . . . -48.57 -35.74 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.55 116.34 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.43 161.88 38.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.351 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 15.27 24.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.83 127.51 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.45 137.14 36.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.78 163.52 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -98.78 -54.16 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' CD ' ' OE1' ' A' ' 27' ' ' GLN . 8.8 tt0 61.26 126.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -177.71 100.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.589 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.68 151.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 106.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.4 172.46 2.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.1 122.28 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.2 156.14 26.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 173.45 170.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 t -169.0 144.44 2.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.36 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -169.41 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -157.72 176.73 12.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 154.53 43.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.33 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.88 -175.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.69 104.31 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.076 HG23 HG23 ' A' ' 143' ' ' THR . 2.7 m -104.54 -44.83 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 106' ' ' VAL . 66.2 t80 28.69 93.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.793 ' H ' HG22 ' A' ' 143' ' ' THR . 11.3 m -113.23 160.59 18.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 7.8 p-10 -87.26 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 56.2 t -56.58 -38.17 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.549 ' HG2' HD12 ' A' ' 133' ' ' ILE . 5.6 tm0? -62.4 -59.52 4.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 1.9 tmm_? -58.66 -30.99 67.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -54.53 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.541 ' HB ' HD11 ' A' ' 133' ' ' ILE . 20.4 m -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.805 HD13 HG21 ' A' ' 133' ' ' ILE . 5.1 tp -51.14 -45.59 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.559 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 25.0 t60 -52.47 -27.73 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -82.9 -22.9 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.745 HD12 ' H ' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -67.81 -43.23 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.2 t80 -39.69 -28.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.14 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.427 ' HA ' ' NE ' ' A' ' 124' ' ' ARG . 25.3 tt0 179.6 105.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.517 ' HB2' HD13 ' A' ' 118' ' ' ILE . 1.2 m-20 -165.85 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.745 ' H ' HD12 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -142.71 41.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.668 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 16.7 mtm180 -58.83 -41.47 88.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.97 -49.87 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 16.0 m -38.4 92.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.2 tmtp? -45.33 -39.52 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.552 ' H ' ' HB1' ' A' ' 83' ' ' ALA . 1.8 mm-40 -58.7 -51.3 70.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -44.51 -49.08 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 1.041 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -50.35 -37.82 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 128' ' ' GLU . 3.8 mt -84.41 -25.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.624 HG22 ' OE1' ' A' ' 136' ' ' GLN . 62.4 m -59.95 -48.95 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.805 HG21 HD13 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -68.6 -55.49 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.528 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.3 OUTLIER -49.95 -33.6 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.19 -25.4 27.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.624 ' OE1' HG22 ' A' ' 132' ' ' THR . 0.4 OUTLIER -75.82 -18.46 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.61 HD22 ' C ' ' A' ' 136' ' ' GLN . 2.5 mm? -138.59 22.78 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.574 ' O ' HD23 ' A' ' 139' ' ' LEU . . . 172.24 -117.36 0.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER 174.47 -34.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.97 160.01 28.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 141' ' ' LEU . 0.6 OUTLIER -88.17 1.54 54.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.519 ' CB ' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -55.41 -57.06 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' THR . . . . . 1.076 HG23 HG23 ' A' ' 106' ' ' VAL . 18.0 p -51.37 -49.5 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.561 HG21 ' HG3' ' A' ' 130' ' ' GLN . 55.9 t -42.74 -48.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.85 -40.93 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 143' ' ' THR . 54.2 t-20 -43.64 -51.2 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 119' ' ' PHE . 0.8 OUTLIER -84.76 -66.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.538 ' CD1' HG13 ' A' ' 144' ' ' VAL . 4.5 m-85 -35.5 -33.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.486 ' HE2' ' HB3' ' A' ' 149' ' ' MET . 0.3 OUTLIER -90.45 -47.0 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.35 -43.92 98.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.551 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -81.23 -47.95 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.569 HG21 ' CE2' ' A' ' 66' ' ' TRP . 7.9 tp -119.2 -3.26 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER 80.84 169.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.5 ' C ' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -102.83 -37.24 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -100.46 -44.98 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 1.6 mt-10 -63.99 -21.5 66.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 13' ' ' ALA . 13.3 p -69.39 -57.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -48.39 -56.53 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -37.99 86.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 16.1 mtt-85 -56.13 -44.22 78.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.739 HG21 ' HG2' ' A' ' 65' ' ' MET . 4.5 mt -53.44 -62.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 23' ' ' TYR . 5.0 m -55.8 -55.41 32.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 22' ' ' ARG . 26.1 m -59.06 -20.33 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 2.1 tt0 -94.17 -17.12 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.764 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.6 mp -91.19 -93.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -89.41 -0.74 57.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 87.31 -26.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 163.79 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -174.63 61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.764 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.6 tp -81.81 138.85 46.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.4 Cg_endo -75.01 82.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.644 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.12 -30.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -59.5 -53.03 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -75.25 -49.12 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.3 t80 -58.27 -11.74 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -89.0 -43.71 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.93 0.49 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' CD ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -78.21 -68.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.39 -75.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -104.68 153.04 21.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.02 -50.26 74.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.649 ' CB ' HG21 ' A' ' 41' ' ' THR . 22.1 mtt180 -59.67 142.47 52.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 34.3 m -156.32 -179.08 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 73.48 40.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.28 34.46 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.649 HG21 ' CB ' ' A' ' 37' ' ' ARG . 2.1 t -48.07 -39.45 20.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.91 HD13 ' SD ' ' A' ' 65' ' ' MET . 0.9 OUTLIER -44.54 -43.04 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -38.32 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 6.5 t70 -61.07 -56.57 19.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.056 HD13 HD21 ' A' ' 55' ' ' LEU . 2.7 pp -63.77 -23.33 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.694 HD11 ' HE1' ' A' ' 62' ' ' PHE . 16.3 mt -80.58 2.77 24.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.1 tpt180 -29.38 -46.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -66.9 122.29 81.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -149.46 135.55 10.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.88 5.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 61.16 64.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.48 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 1.2 t -68.67 -44.57 73.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.596 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 46.91 32.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.056 HD21 HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER 39.12 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -19.86 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.7 m -113.34 36.78 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.33 60.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -39.28 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.27 -43.71 74.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.9 m -50.78 -62.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.969 ' CD1' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -40.45 -43.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.466 ' CG ' ' HE3' ' A' ' 67' ' ' LYS . 15.9 ttm180 -70.35 -55.0 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.537 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -37.83 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.91 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -73.39 -54.88 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 3.7 m0 -52.05 -24.46 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HE3' ' CG ' ' A' ' 63' ' ' ARG . 9.0 mmtt -66.87 -52.68 40.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.712 ' CZ2' ' HB2' ' A' ' 79' ' ' ALA . 1.2 t90 -42.6 -52.77 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 20' ' ' LEU . 4.8 mt -41.66 -54.79 3.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -72.34 -74.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.38 137.95 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.3 Cg_endo -75.01 53.14 3.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' PRO . 13.0 mt-10 36.34 62.3 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -173.26 56.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 170.08 43.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -37.65 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -7.21 48.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.16 -68.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.712 ' HB2' ' CZ2' ' A' ' 68' ' ' TRP . . . -42.43 -45.96 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mp -97.51 94.79 7.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.45 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 tt -42.91 119.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -133.64 47.43 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.541 ' CB ' ' NH1' ' A' ' 87' ' ' ARG . . . -79.35 74.32 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -63.07 161.03 13.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.27 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 67.43 68.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.541 ' NH1' ' CB ' ' A' ' 84' ' ' ALA . 0.1 OUTLIER -103.89 160.99 14.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.9 138.11 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 51.86 99.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.87 79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -151.53 174.52 13.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 64.5 126.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.596 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -55.62 -164.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 77.19 -70.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t0 70.22 150.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 164.1 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.2 124.68 0.9 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 170.81 162.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 5.5 t -165.06 145.79 6.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -74.99 85.02 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER 171.05 124.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -150.83 64.16 6.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 102' ' ' LYS . 18.2 Cg_endo -75.04 97.83 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.769 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -52.08 146.86 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.07 132.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.617 HG23 ' H ' ' A' ' 107' ' ' PHE . 10.3 m -134.28 -59.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.617 ' H ' HG23 ' A' ' 106' ' ' VAL . 4.6 t80 32.9 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.594 ' HB ' HD13 ' A' ' 137' ' ' LEU . 16.9 m -114.01 165.99 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -84.67 -47.66 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.21 -53.48 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.941 ' CG ' HD22 ' A' ' 137' ' ' LEU . 0.5 OUTLIER -51.38 -60.77 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -45.89 -23.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.557 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 4.6 ttp180 -86.66 -33.5 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.568 HG21 HG12 ' A' ' 133' ' ' ILE . 49.7 m -68.11 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.789 HD13 HG21 ' A' ' 133' ' ' ILE . 7.0 tp -54.68 -44.26 73.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.629 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 75.0 t60 -56.94 -27.33 60.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -77.11 -20.23 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 124' ' ' ARG . 1.1 tp -75.81 -43.79 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 1.0 OUTLIER -37.71 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 118' ' ' ILE . 22.8 mmtt -59.3 -72.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 171.64 102.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.21 -53.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -164.86 36.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.519 ' HA ' HG23 ' A' ' 118' ' ' ILE . 4.4 mtp180 -36.52 -52.18 1.85 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.632 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.4 Cg_endo -74.98 -95.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 125' ' ' PRO . 1.9 m 18.4 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -45.51 -28.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.2 OUTLIER -68.79 -36.82 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 1.004 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -61.94 -57.83 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 1.004 ' N ' HD13 ' A' ' 129' ' ' LEU . 3.3 tt0 -45.96 -31.87 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 22.5 mm -90.54 -26.46 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 27.8 m -57.99 -35.79 71.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.858 HD11 ' HA ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -86.56 -54.32 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.496 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.8 OUTLIER -53.78 -31.41 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.519 ' CG ' ' O ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -83.83 -29.9 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -53.92 -42.7 69.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.941 HD22 ' CG ' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -92.9 -40.83 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 139' ' ' LEU . . . -152.98 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.439 ' HB3' ' O ' ' A' ' 138' ' ' GLY . 3.7 pp 178.53 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.84 147.59 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.0 pp -82.89 1.04 41.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -55.2 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.832 HG21 HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -55.76 -48.13 75.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.725 HG22 ' CD2' ' A' ' 115' ' ' LEU . 17.3 t -46.66 -51.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -48.44 -44.6 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.79 -49.53 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' PHE . . . . . 0.711 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.7 t80 -88.53 -67.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.584 ' CD1' HG13 ' A' ' 144' ' ' VAL . 2.0 m-85 -34.53 -37.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.1 OUTLIER -78.61 -55.27 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -47.51 84.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.711 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -75.4 -70.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.668 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 3.5 mp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.51 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -89.63 -168.83 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 3.0 m -101.34 -56.51 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -88.67 -31.73 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.82 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.584 ' O ' HD12 ' A' ' 16' ' ' ILE . 1.2 p -72.36 -41.21 65.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -65.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.89 -30.19 57.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.568 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.62 -60.23 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.72 ' O ' HD22 ' A' ' 20' ' ' LEU . 4.2 mt -38.05 -37.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 23' ' ' TYR . 18.1 m -67.84 -51.46 48.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' ARG . 23.8 m -82.8 0.76 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.43 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.858 ' HG2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -90.78 -48.83 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.793 HD23 HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -64.24 -82.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -88.07 -73.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 176.89 -33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 3.9 m-85 -179.04 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.72 66.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.793 HD13 HD23 ' A' ' 20' ' ' LEU . 1.1 tp -58.07 134.33 84.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.05 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 3.6 mp0 -39.38 -41.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -54.46 -63.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.07 -56.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.772 ' CD2' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -55.42 -15.61 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.783 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -91.24 -33.94 15.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.39 -3.78 58.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.644 ' NE ' ' CZ2' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -90.84 -77.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.8 -67.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.772 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -58.89 166.93 1.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.783 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -93.42 -47.51 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.15 99.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -171.11 132.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 3.0 tm0? -109.78 69.46 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 100.65 32.62 5.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.652 HG22 ' HE1' ' A' ' 65' ' ' MET . 0.1 OUTLIER -40.01 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.643 ' CD1' HD13 ' A' ' 16' ' ' ILE . 30.9 mt -64.15 -54.76 28.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -62.3 -12.8 22.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 41' ' ' THR . 5.5 t70 -90.23 -46.84 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.944 HD12 ' HG ' ' A' ' 55' ' ' LEU . 2.3 tm? -71.69 -23.58 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -80.78 1.05 32.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' LEU . 4.1 tpp180 -36.43 -45.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.3 p-10 -78.4 151.96 78.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -153.52 102.47 2.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.59 15.59 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.2 m0 58.69 39.26 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -67.47 -14.01 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.971 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 30.72 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.944 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER 37.59 86.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -28.81 69.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -61.99 -68.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.18 86.68 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -38.04 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.44 -34.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.484 HG22 HD21 ' A' ' 42' ' ' LEU . 19.9 m -58.66 -64.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.749 ' CE2' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.32 -51.17 11.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ARG . 5.0 ttm-85 -56.03 -58.8 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' ARG . 22.9 mmt180 -35.94 -38.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.652 ' HE1' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -72.67 -55.03 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.668 ' CZ3' HG21 ' A' ' 7' ' ' ILE . 5.3 m0 -51.78 -26.89 10.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -65.3 -53.24 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.644 ' CZ2' ' NE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -43.72 -56.87 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.858 HD13 ' HG2' ' A' ' 19' ' ' GLU . 3.5 mt -56.05 -45.04 79.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 71' ' ' GLU . 4.4 mm100 -61.05 -72.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.654 ' CD1' ' ND2' ' A' ' 146' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.528 0.204 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.841 HG22 HG12 ' A' ' 110' ' ' VAL . 52.8 m -109.22 137.7 46.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.26 -59.08 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.841 HG12 HG22 ' A' ' 108' ' ' THR . 11.7 p -44.89 -36.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.9 ' OE1' HG21 ' A' ' 143' ' ' THR . 77.9 mt-30 -73.52 -57.96 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 6.4 ttp180 -51.01 -26.13 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -70.74 -46.12 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.525 ' CG2' HG12 ' A' ' 133' ' ' ILE . 32.8 m -61.08 -60.87 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 144' ' ' VAL . 4.6 tp -55.94 -43.26 77.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.551 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 2.7 t-80 -47.3 -34.86 7.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.72 -35.63 70.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -56.34 -29.12 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 2.4 t80 -49.29 -27.5 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -126.61 55.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.823 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -130.02 -90.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 121' ' ' GLU . 6.6 t-20 175.91 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.976 ' HB3' HD13 ' A' ' 129' ' ' LEU . 5.5 mttm -88.44 31.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.644 ' HA ' HG23 ' A' ' 118' ' ' ILE . 1.7 mtm105 -47.52 -49.19 56.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.03 -91.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 25.76 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -25.71 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.36 -38.73 63.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.976 HD13 ' HB3' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -65.96 -56.43 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.784 ' N ' HD23 ' A' ' 129' ' ' LEU . 3.6 pt20 -46.33 -34.6 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 131' ' ' ILE . 16.1 mm -84.64 -27.59 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.6 m -62.87 -38.28 90.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -78.87 -50.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 139' ' ' LEU . 0.3 OUTLIER -56.62 -31.58 64.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.2 -14.49 33.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -61.63 -59.57 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.492 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.3 mp -116.47 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -142.96 -134.4 2.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.3 OUTLIER -171.92 -41.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.29 168.41 16.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 0.3 55.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.2 t -50.38 -55.21 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.9 HG21 ' OE1' ' A' ' 111' ' ' GLN . 60.8 p -49.4 -53.82 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.758 ' HA ' HD23 ' A' ' 115' ' ' LEU . 74.9 t -41.16 -49.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.35 -42.99 92.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 107' ' ' PHE . 4.8 t-20 -41.16 -47.99 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.609 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -87.54 -66.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.656 ' CE1' HG13 ' A' ' 144' ' ' VAL . 10.2 m-85 -36.76 -30.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.4 tmm? -84.84 -52.3 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -63.21 -46.71 85.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.596 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -79.15 -78.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 12' ' ' VAL . 1.6 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.514 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 3.3 m120 -79.24 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 10' ' ' LYS . 11.1 t -100.58 -54.34 2.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.604 ' HG3' HD12 ' A' ' 46' ' ' LEU . 11.6 tttt -92.01 -30.24 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.724 HG21 HG23 ' A' ' 7' ' ' ILE . 9.9 p -78.35 -39.27 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -56.18 -66.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -54.89 -29.13 55.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -67.78 -52.49 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.01 HD13 HD12 ' A' ' 42' ' ' LEU . 5.4 mt -41.68 -43.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -66.5 -52.47 45.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.4 m -73.95 -1.86 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 15' ' ' ARG . 2.6 mm-40 -91.06 -58.53 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.781 HD22 ' O ' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -53.34 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -90.81 -67.45 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 165.74 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.7 m-85 176.11 36.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.73 53.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.644 HD13 HD23 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.14 138.9 91.38 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 80.45 2.43 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.609 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -46.14 -24.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -41.84 78.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -83.32 -50.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.531 ' CD1' HD11 ' A' ' 25' ' ' ILE . 22.8 t80 -58.14 -12.93 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.92 -43.27 10.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -90.77 1.48 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.81 -70.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.743 HG13 ' H ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -123.43 -79.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.743 ' H ' HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -93.58 147.83 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.36 -43.96 96.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.896 ' HB3' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -59.55 147.58 36.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.527 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 m -160.84 -178.65 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 72.19 42.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 53.44 27.66 34.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.896 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -39.09 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.423 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.01 HD12 HD13 ' A' ' 16' ' ' ILE . 39.0 mt -49.28 -42.55 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 1.1 t -66.92 -24.4 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.0 t70 -80.3 -55.76 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.974 HD13 HD11 ' A' ' 55' ' ' LEU . 1.1 pp -65.01 -17.66 64.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.71 -5.61 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -33.27 -38.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' LEU . 44.6 t30 -69.89 122.44 86.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.31 2.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.439 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.67 122.28 1.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 127.77 10.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.0 m0 57.19 39.42 28.84 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -49.53 -54.59 17.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 74.58 30.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.974 HD11 HD13 ' A' ' 45' ' ' LEU . 2.4 mm? 39.69 64.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -41.25 -46.02 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 m -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -149.11 74.93 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' GLY . 4.4 tmm_? -38.88 -31.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -47.77 -35.55 10.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 m -58.74 -63.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.878 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.6 -47.9 14.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -60.5 -56.68 18.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.642 ' HB2' HD23 ' A' ' 35' ' ' LEU . 1.1 mtp85 -38.64 -39.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.818 ' HG3' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -72.78 -49.35 31.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.567 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 8.8 m0 -58.25 -27.49 64.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -63.57 -51.98 62.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.49 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -45.51 -60.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.034 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 69' ' ' LEU . 2.9 mt -39.36 -45.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -82.3 -86.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 107' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.5 0.191 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.781 HG22 HG12 ' A' ' 110' ' ' VAL . 1.2 m -110.26 149.39 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -26.13 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.781 HG12 HG22 ' A' ' 108' ' ' THR . 7.5 p -75.84 -42.55 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.792 ' O ' HD11 ' A' ' 133' ' ' ILE . 51.9 mt-30 -71.82 -56.35 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -51.37 -29.94 17.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 112' ' ' ARG . 8.3 ttt-85 -66.2 -42.34 88.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.531 ' HB ' HD11 ' A' ' 133' ' ' ILE . 25.4 m -65.25 -58.86 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.89 ' CD2' HG22 ' A' ' 144' ' ' VAL . 6.1 tp -58.22 -43.86 87.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.585 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 43.0 t60 -45.54 -39.94 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.593 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.73 -35.88 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -56.79 -25.98 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.546 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 5.8 t80 -50.75 -19.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.41 62.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.742 ' CB ' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -134.76 -75.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 163.08 -28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.869 ' HB3' HD13 ' A' ' 129' ' ' LEU . 8.0 mttp -92.25 28.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 12.0 mtm180 -46.14 -49.28 41.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.02 -91.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.541 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.9 m 27.98 80.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -39.69 -37.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.92 -58.02 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.947 HD11 HG13 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -41.13 -56.32 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.661 ' CG ' ' CZ ' ' A' ' 148' ' ' PHE . 10.4 mt-30 -43.39 -44.41 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.08 -26.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 129' ' ' LEU . 22.5 m -61.46 -49.71 75.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.792 HD11 ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -65.42 -52.17 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -52.97 -59.02 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -12.44 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.851 ' HB3' HD22 ' A' ' 137' ' ' LEU . 1.4 tt0 -64.72 -60.55 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.6 OUTLIER -112.93 12.77 19.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -156.18 -138.2 2.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -176.65 35.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 134' ' ' SER . 0.1 OUTLIER -160.05 152.19 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.89 -3.49 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.4 p -39.46 -50.95 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.675 HG21 ' HB3' ' A' ' 111' ' ' GLN . 4.3 t -70.3 -51.09 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.89 HG22 ' CD2' ' A' ' 115' ' ' LEU . 28.9 t -39.54 -49.09 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.74 -44.54 96.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' THR . 4.8 t30 -43.99 -45.92 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.595 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -84.99 -71.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.661 ' CZ ' ' CG ' ' A' ' 130' ' ' GLN . 9.6 m-85 -36.76 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -88.68 -44.28 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 147' ' ' PHE . 26.1 t30 -69.64 -49.43 53.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.591 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -75.57 -60.75 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.82 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.0 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 59.96 106.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.681 HG23 ' HZ ' ' A' ' 62' ' ' PHE . 1.4 m -65.15 -59.77 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -41.26 74.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -76.87 -21.22 55.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.975 HG11 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -67.79 -66.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.656 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -45.87 -49.61 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.82 -29.06 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.602 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.76 -59.32 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.912 HG21 ' SD ' ' A' ' 65' ' ' MET . 3.1 mt -57.03 -17.08 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.4 m -82.94 -49.65 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 m -90.23 -4.72 57.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' ARG . 6.4 mm-40 -91.36 -47.15 7.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.826 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.4 mp -63.23 -89.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 16.0 tttp -89.82 -57.39 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 163.45 -27.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.886 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER 174.3 36.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 162.87 75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.826 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -70.52 140.7 87.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.98 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.607 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 6.9 mp0 -43.03 -26.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -60.84 -44.24 97.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -75.19 -50.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -63.62 -9.81 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.68 -34.43 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -92.61 -14.88 27.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' NE ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.12 -84.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 35' ' ' LEU . 4.5 m -123.29 -52.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 22.9 mt -71.79 172.42 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.574 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 17.3 p -100.94 -35.8 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.72 89.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.2 m -162.79 142.18 9.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.561 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.0 pt20 -130.01 76.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.85 23.03 70.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -42.35 -39.8 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.914 HD23 ' CG1' ' A' ' 12' ' ' VAL . 2.6 tp -36.36 -40.25 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.646 ' CB ' ' HB1' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -70.5 -52.7 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' THR . 1.1 t70 -50.49 -55.93 13.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.839 HD13 HD21 ' A' ' 55' ' ' LEU . 4.4 pp -62.76 -22.71 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.693 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 20.7 mt -87.64 1.5 53.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -35.52 -41.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' LEU . 2.0 p-10 -75.29 142.65 75.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.7 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.35 104.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.31 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.8 m0 61.92 51.32 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' LYS . 22.6 t -89.46 -41.83 11.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 38.24 39.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 45' ' ' LEU . 17.6 mt 39.77 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.43 -30.83 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.2 m -60.46 -52.61 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -140.6 81.02 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -24.12 48.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.78 -37.73 68.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 m -58.67 -64.38 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.975 ' CE2' HG11 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -44.19 -36.81 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 66' ' ' TRP . 6.4 mtp180 -64.42 -52.1 59.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.546 ' HB3' HD21 ' A' ' 35' ' ' LEU . 77.5 mtt-85 -42.08 -39.03 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.912 ' SD ' HG21 ' A' ' 16' ' ' ILE . 5.0 mmt -65.0 -61.0 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 63' ' ' ARG . 1.9 m0 -42.85 -42.05 3.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' GLU . 3.1 mttt -47.11 -60.55 2.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.2 t90 -44.41 -57.49 3.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.643 HD21 HG23 ' A' ' 16' ' ' ILE . 5.0 mt -44.2 -44.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -77.44 -76.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' OE2' ' NE ' ' A' ' 33' ' ' ARG . 81.8 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.512 0.196 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.781 HG21 ' OE1' ' A' ' 111' ' ' GLN . 39.3 m -111.48 141.35 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 -27.93 34.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.427 ' H ' HG22 ' A' ' 108' ' ' THR . 40.5 t -69.41 -42.72 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.781 ' OE1' HG21 ' A' ' 108' ' ' THR . 0.8 OUTLIER -73.0 -58.12 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -46.25 -26.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -75.05 -43.37 53.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.52 ' HB ' HD11 ' A' ' 133' ' ' ILE . 63.2 m -64.13 -59.46 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.428 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.85 HD13 HG21 ' A' ' 133' ' ' ILE . 5.0 tp -56.49 -45.53 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 9.8 t-80 -45.32 -39.0 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.14 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.98 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -60.87 -18.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.557 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 8.1 t80 -53.14 -19.06 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.78 68.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.864 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -135.38 -79.87 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 176.59 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.948 ' HB3' HD13 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -89.45 23.21 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.513 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 1.9 mtm180 -35.42 -55.48 1.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.93 -91.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 30.59 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.919 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -50.58 -29.3 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.96 -27.27 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.98 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -75.11 -50.12 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.545 ' N ' HD23 ' A' ' 129' ' ' LEU . 2.2 pt20 -52.91 -32.69 46.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.919 HD12 ' O ' ' A' ' 127' ' ' LYS . 7.0 mt -85.4 -22.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 129' ' ' LEU . 6.9 m -68.56 -47.0 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.85 HG21 HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.33 -47.41 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 139' ' ' LEU . 0.8 OUTLIER -62.85 -36.16 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.441 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 1.0 OUTLIER -82.49 -10.83 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.429 HE21 HD11 ' A' ' 137' ' ' LEU . 34.8 tt0 -73.72 -50.56 20.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.429 HD11 HE21 ' A' ' 136' ' ' GLN . 0.7 OUTLIER -127.02 31.02 5.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -165.12 -120.52 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.8 OUTLIER 168.46 -37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.4 ' HG2' HD12 ' A' ' 139' ' ' LEU . 23.2 mm-40 -81.04 172.27 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -94.81 0.47 54.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.25 -60.04 3.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.663 HG21 ' NE2' ' A' ' 111' ' ' GLN . 56.0 p -44.83 -54.08 6.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' A' ' 115' ' ' LEU . 77.8 t -40.87 -48.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.9 -43.02 95.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 34.1 t-20 -40.13 -46.24 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.62 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.08 -66.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.62 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 9.9 m-85 -36.71 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.0 tmm? -85.16 -52.54 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.47 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.586 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -80.14 -65.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 1.4 mp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER 81.65 169.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.468 HG21 ' N ' ' A' ' 52' ' ' TRP . 4.7 t -102.01 -37.59 8.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -42.55 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -26.87 68.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG21 ' HE1' ' A' ' 66' ' ' TRP . 10.1 p -65.18 -59.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -43.12 -49.28 6.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -53.93 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -46.27 -43.62 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.591 HD11 HG22 ' A' ' 12' ' ' VAL . 7.2 mt -54.51 -44.26 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.7 m -73.01 -54.59 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 85.0 m -61.3 -20.73 63.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.616 ' OE1' HD13 ' A' ' 69' ' ' LEU . 21.6 tt0 -89.17 -50.54 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HB3' HD13 ' A' ' 25' ' ' ILE . 4.1 mp -56.12 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -62.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 167.87 -27.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.28 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.765 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER 175.27 36.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER 163.99 76.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.772 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -66.29 140.21 96.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.642 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.04 92.57 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.89 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -51.42 -51.74 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.5 mp -75.34 -51.39 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.73 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -51.14 -18.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -91.12 -35.86 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -84.54 -5.85 59.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -91.44 -77.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.31 -61.37 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 30' ' ' PHE . 27.0 mt -58.66 172.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.809 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -100.2 -43.0 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -170.26 94.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.488 ' OG ' HD13 ' A' ' 35' ' ' LEU . 4.6 p -170.96 136.19 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.47 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 14.9 pm0 -115.59 59.34 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.6 35.43 4.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.486 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -48.51 -27.46 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.409 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.846 HD21 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -56.4 -53.75 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.563 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -66.14 -43.47 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -53.82 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 55' ' ' LEU . 4.1 pp -61.39 -26.16 67.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.781 HD11 ' HE1' ' A' ' 62' ' ' PHE . 28.4 mt -84.63 2.39 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 11.9 ptt180 -37.55 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.7 p-10 -89.13 145.75 34.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 119.73 5.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -155.73 105.62 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.57 13.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.468 ' N ' HG21 ' A' ' 9' ' ' THR . 9.9 m0 51.11 64.05 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -89.71 -44.54 9.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.39 43.22 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER 43.77 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.21 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -60.19 3.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.68 99.77 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.69 -31.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.88 -41.41 11.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.542 HG22 HD12 ' A' ' 42' ' ' LEU . 3.5 m -58.3 -60.0 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.846 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -42.21 -30.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 110.95 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -46.38 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HB3' HD21 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.87 -33.1 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.755 ' HG2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -73.11 -58.12 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.66 ' HE1' HG21 ' A' ' 12' ' ' VAL . 3.2 m0 -51.06 -27.77 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.8 mmmt -60.28 -58.96 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 1.4 t90 -47.95 -51.32 24.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.616 HD13 ' OE1' ' A' ' 19' ' ' GLU . 1.7 mt -51.37 -48.27 62.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -49.84 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.534 0.207 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' A' ' 111' ' ' GLN . 2.5 m -114.88 157.04 23.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -79.08 -52.3 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.618 HG12 ' HG ' ' A' ' 137' ' ' LEU . 86.7 t -60.75 -43.61 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.831 ' O ' HD11 ' A' ' 133' ' ' ILE . 11.3 tm0? -59.34 -61.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -58.77 -24.08 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -71.8 -34.23 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.583 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 51.9 m -73.77 -58.9 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.01 HD13 HG21 ' A' ' 133' ' ' ILE . 2.2 tp -56.81 -39.46 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.579 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 65.1 t60 -58.74 -33.57 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.39 -20.59 36.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.615 HG22 ' HG3' ' A' ' 124' ' ' ARG . 1.8 mm -67.27 -51.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.582 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 4.8 t80 -36.88 -34.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 21.5 mmtt -55.58 -65.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.2 OUTLIER 165.6 106.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -162.76 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.456 ' H ' HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -140.41 22.42 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.615 ' HG3' HG22 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -47.87 -48.94 60.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.05 66.23 6.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.4 m -167.64 106.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.541 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -57.25 -36.68 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.81 -42.45 94.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.853 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -53.82 -52.25 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.853 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.5 OUTLIER -46.12 -42.94 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 127' ' ' LYS . 3.8 mt -80.03 -24.0 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' LEU . 63.1 m -66.77 -46.08 76.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 1.01 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -67.36 -36.39 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 138' ' ' GLY . 7.9 p -69.74 -39.77 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 135' ' ' GLN . 4.6 tm0? -82.38 -11.52 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.46 ' OE1' ' CD2' ' A' ' 137' ' ' LEU . 10.5 tt0 -83.23 -28.98 28.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.618 ' HG ' HG12 ' A' ' 110' ' ' VAL . 2.2 mm? -127.59 7.1 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -170.29 -119.36 0.5 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.505 HD12 ' OE1' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -179.85 -40.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.505 ' OE1' HD12 ' A' ' 139' ' ' LEU . 0.5 OUTLIER -77.34 152.54 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 0.17 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.33 -52.1 55.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 146' ' ' ASN . 44.3 p -57.3 -51.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.746 HG11 ' CG ' ' A' ' 130' ' ' GLN . 65.4 t -40.08 -48.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 146' ' ' ASN . 0.3 OUTLIER -57.87 -46.63 84.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 143' ' ' THR . 21.0 t-20 -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -89.12 -72.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.64 ' CD1' HG13 ' A' ' 144' ' ' VAL . 7.5 m-85 -30.46 -40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -78.03 -51.86 9.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' PHE . 31.6 t30 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.642 ' HB2' ' CD1' ' A' ' 147' ' ' PHE . . . -64.43 -65.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 148' ' ' PHE . 17.0 ttt-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.889 HG23 HG21 ' A' ' 12' ' ' VAL . 3.0 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -169.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 10' ' ' LYS . 10.1 t -100.29 -55.02 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.533 ' N ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -96.93 -24.71 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -76.38 -25.27 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.889 HG21 HG23 ' A' ' 7' ' ' ILE . 7.2 p -78.0 -54.6 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.566 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -44.36 -54.11 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -48.8 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -50.89 -42.09 58.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.946 HG21 ' SD ' ' A' ' 65' ' ' MET . 4.4 mt -53.64 -44.02 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 23' ' ' TYR . 16.3 m -74.52 -54.08 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.32 -22.27 60.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 5.3 mm-40 -90.52 -45.47 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.808 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.6 mp -53.29 -88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -86.74 -57.77 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 5.6 ptm180 163.71 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 172.51 37.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.7 m 162.79 75.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.808 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -68.97 140.66 91.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.577 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.01 97.02 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -37.91 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -55.35 -51.41 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.1 mp -71.63 -42.49 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -66.22 -6.67 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -90.73 -45.44 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -90.77 0.05 57.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' NH1' ' CZ2' ' A' ' 68' ' ' TRP . 18.7 mmm-85 -90.43 -76.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.886 HG13 ' H ' ' A' ' 35' ' ' LEU . 2.1 p -125.4 -73.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.886 ' H ' HG13 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -59.63 162.37 5.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 85.5 m -70.05 -52.43 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.61 99.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.4 ' HB2' ' HB ' ' A' ' 41' ' ' THR . 1.0 OUTLIER -170.74 149.61 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.27 72.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 38' ' ' SER . 0.7 OUTLIER -45.22 -37.07 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.407 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 61' ' ' THR . 0.2 OUTLIER -42.07 -54.07 3.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.47 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -60.57 -40.87 93.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.12 -59.08 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 55' ' ' LEU . 4.3 pp -61.6 -24.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.693 HD11 ' CE1' ' A' ' 62' ' ' PHE . 1.9 mt -81.38 0.66 36.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' LEU . 13.3 ttm180 -36.58 -44.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.03 143.14 83.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' O ' HG21 ' A' ' 9' ' ' THR . 4.9 mmtt -144.99 107.26 4.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.9 m0 47.57 49.41 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -46.34 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 66.96 37.01 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.821 HD12 ' HD1' ' A' ' 62' ' ' PHE . 1.2 mt 37.38 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -34.41 71.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 m -96.9 58.05 1.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.51 47.24 0.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -50.55 -30.61 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.31 -39.28 69.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.904 HG22 HD12 ' A' ' 42' ' ' LEU . 3.3 m -56.18 -62.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.863 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -39.63 -44.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 9.4 ttm180 -68.89 -50.59 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.475 ' HB3' HD11 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.34 -55.87 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.946 ' SD ' HG21 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -50.69 -50.89 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.783 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 17.7 m0 -48.89 -37.96 21.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -51.09 -52.42 43.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CZ2' ' NH1' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -45.71 -50.88 13.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 107.975 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 16' ' ' ILE . 12.3 mt -68.58 -29.77 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -74.95 1.88 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.491 0.186 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -106.38 156.47 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.0 p-10 -78.11 -51.75 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.455 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 38.2 t -55.17 -50.14 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.607 ' O ' HD11 ' A' ' 133' ' ' ILE . 44.8 mt-30 -59.47 -61.55 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.4 ttt180 -52.95 -25.57 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -72.27 -33.25 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.515 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 36.5 m -71.83 -60.04 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.465 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.765 HD13 HG21 ' A' ' 133' ' ' ILE . 4.0 tp -57.74 -43.42 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.607 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 4.8 t60 -50.86 -39.05 52.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.16 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.991 HG12 HD11 ' A' ' 129' ' ' LEU . 0.7 OUTLIER -68.58 -35.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.577 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 1.1 t80 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -77.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 178.45 102.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -154.16 -70.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.939 ' HB3' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -145.96 23.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.532 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -31.4 -56.57 0.41 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.02 66.79 6.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 51.4 m -155.22 98.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.817 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -63.36 -26.3 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -72.27 -43.52 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.991 HD11 HG12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.44 -53.03 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.736 ' N ' HD23 ' A' ' 129' ' ' LEU . 2.4 pt20 -45.8 -40.29 9.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.817 HD12 ' O ' ' A' ' 127' ' ' LYS . 4.5 mt -80.23 -27.01 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.461 HG22 ' NE2' ' A' ' 136' ' ' GLN . 86.6 m -67.96 -38.28 82.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.765 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.73 -42.26 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.48 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 0.0 OUTLIER -64.55 -48.62 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -74.27 -19.24 60.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.461 ' NE2' HG22 ' A' ' 132' ' ' THR . 5.5 mt-30 -61.12 -56.39 21.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -111.33 13.68 21.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -156.85 -139.64 2.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 139' ' ' LEU . 0.4 OUTLIER -175.59 35.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 134' ' ' SER . 8.9 tp10 -157.46 148.33 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.62 -0.27 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -51.21 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 134' ' ' SER . 3.1 t -64.24 -46.07 85.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 130' ' ' GLN . 69.6 t -42.38 -47.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -64.92 -38.29 90.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 143' ' ' THR . 20.2 t-20 -42.02 -45.53 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.607 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -89.65 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.489 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 5.5 m-85 -38.33 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 147' ' ' PHE . 11.2 tmm? -85.47 -54.27 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.598 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -83.36 -60.82 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . 0.401 ' CA ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.603 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 7.1 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 22.5 m-80 66.07 138.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.573 HG21 ' HA ' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -100.91 -42.18 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.4 -33.95 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -72.04 -21.92 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.748 HG21 ' NE1' ' A' ' 66' ' ' TRP . 9.9 p -75.86 -49.59 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB1' ' N ' ' A' ' 43' ' ' SER . . . -53.12 -64.18 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -54.8 -25.7 29.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.575 ' O ' ' N ' ' A' ' 19' ' ' GLU . 3.4 mtp180 -71.91 -60.48 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.785 HG21 ' SD ' ' A' ' 65' ' ' MET . 5.9 mt -38.72 -32.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 15' ' ' ARG . 18.5 m -72.68 -50.92 21.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' ARG . 18.4 m -84.09 0.41 48.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.575 ' N ' ' O ' ' A' ' 15' ' ' ARG . 3.4 mm-40 -91.72 -58.05 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.132 HD23 HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -57.21 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 9.7 tttp -85.02 -68.71 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 163.04 -29.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.5 m-85 178.41 35.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -174.56 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.132 HD13 HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.28 125.23 74.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.799 ' HG2' HD12 ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.05 87.9 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.76 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -62.62 -53.11 59.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.799 HD12 ' HG2' ' A' ' 26' ' ' PRO . 47.2 mt -58.18 -54.59 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -61.96 -12.87 20.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -89.61 -35.62 15.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -91.73 -6.14 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -90.07 -81.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -121.77 -63.02 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.58 HD12 ' CG ' ' A' ' 30' ' ' PHE . 25.4 mt -59.34 167.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 14.3 t -90.22 -49.7 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.19 100.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 p -170.3 126.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.643 ' HB2' HG23 ' A' ' 25' ' ' ILE . 12.1 pt20 -106.74 52.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 118.2 31.65 1.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.581 1.176 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.643 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.1 -28.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.383 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.75 HD12 ' CD1' ' A' ' 16' ' ' ILE . 8.6 mt -62.9 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 3.2 m -53.69 -34.65 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 41' ' ' THR . 35.5 t0 -55.2 -60.14 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -20.75 63.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' ASN . 5.3 mp -90.77 2.99 55.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.59 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' LEU . 16.5 p30 -75.18 129.18 83.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.39 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -146.86 128.77 7.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.573 ' HA ' HG21 ' A' ' 9' ' ' THR . 1.4 m-90 80.33 59.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.52 ' H ' HG21 ' A' ' 9' ' ' THR . 12.5 t -45.6 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.53 36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm? -89.67 43.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -100.06 -52.41 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -49.53 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.71 46.31 1.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' THR . 0.3 OUTLIER -60.36 -14.33 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -35.89 -35.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 62' ' ' PHE . 8.4 t -77.4 -53.82 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.67 ' HD1' HD22 ' A' ' 42' ' ' LEU . 1.2 m-30 -53.07 -38.81 62.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.163 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -71.72 -56.41 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -47.18 -30.35 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.785 ' SD ' HG21 ' A' ' 16' ' ' ILE . 1.3 mmt -73.57 -56.52 4.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.748 ' NE1' HG21 ' A' ' 12' ' ' VAL . 2.5 m0 -57.3 -23.82 51.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -52.59 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.706 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -48.56 -57.24 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 69' ' ' LEU . 3.6 mt -47.79 -47.77 30.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.2 -72.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' A' ' 142' ' ' SER . 7.1 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.508 0.194 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.415 ' CB ' ' OE1' ' A' ' 111' ' ' GLN . 8.1 m -110.4 165.88 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.4 p-10 -84.12 -51.99 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.447 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 73.2 t -56.75 -48.29 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.608 ' O ' HD11 ' A' ' 133' ' ' ILE . 25.1 mt-30 -58.56 -62.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -54.33 -20.65 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -72.43 -41.86 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.66 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 12.0 m -65.3 -58.96 4.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.78 ' O ' HG22 ' A' ' 118' ' ' ILE . 2.5 tp -56.22 -52.56 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.525 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 73.4 t60 -49.62 -26.04 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -72.52 -35.17 68.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.78 HG22 ' O ' ' A' ' 115' ' ' LEU . 5.1 tp -77.24 -20.61 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.772 ' CE2' ' HB1' ' A' ' 151' ' ' ALA . 1.5 t80 -36.54 -40.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 57.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.696 ' HB3' HD12 ' A' ' 118' ' ' ILE . 7.9 tp10 -123.0 -85.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 42.2 t30 174.58 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.696 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -177.93 42.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.7 ' HA ' HG23 ' A' ' 118' ' ' ILE . 1.3 mtm105 -66.95 -43.19 46.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.95 -93.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.2 m 31.19 85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.887 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -51.76 -30.06 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -23.4 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.778 HD23 ' C ' ' A' ' 129' ' ' LEU . 1.2 tt -83.66 -57.39 3.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.606 ' N ' HD23 ' A' ' 129' ' ' LEU . 10.8 pt20 -43.73 -35.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.887 HD12 ' O ' ' A' ' 127' ' ' LYS . 5.9 mt -81.3 -34.26 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 4.4 m -57.34 -53.87 53.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.703 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.87 -56.89 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.559 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -51.52 -36.97 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -77.7 -23.43 49.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.949 ' C ' HD13 ' A' ' 137' ' ' LEU . 2.5 tt0 -58.78 -50.17 74.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.949 HD13 ' C ' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -123.87 26.76 7.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.649 ' C ' HD23 ' A' ' 139' ' ' LEU . . . -175.44 -125.47 0.87 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.649 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER 175.16 -35.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.254 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.34 150.75 41.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 141' ' ' LEU . 0.9 OUTLIER -78.61 0.53 26.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -51.96 -49.58 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 0.6 OUTLIER -57.64 -50.42 73.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 148' ' ' PHE . 54.8 t -41.75 -52.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.71 -39.36 70.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 143' ' ' THR . 10.9 t-20 -43.75 -48.79 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.06 -67.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.777 ' CD1' HG13 ' A' ' 144' ' ' VAL . 9.0 m-85 -34.71 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -83.64 -49.36 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 147' ' ' PHE . 63.5 m-20 -62.38 -47.44 84.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.772 ' HB1' ' CE2' ' A' ' 119' ' ' PHE . . . -78.45 -69.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.612 HG21 ' CE2' ' A' ' 66' ' ' TRP . 2.3 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.456 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 6.0 m-20 -58.14 106.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.647 ' HB ' ' CE2' ' A' ' 62' ' ' PHE . 30.9 p -54.73 -34.43 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.456 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -71.69 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 5.0 mm-40 -59.41 -57.54 12.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.588 HG21 ' NE1' ' A' ' 66' ' ' TRP . 3.8 p -40.58 -38.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -54.91 -67.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 0.6 OUTLIER -65.94 -19.8 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.7 -42.23 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.673 HD13 HD12 ' A' ' 42' ' ' LEU . 5.5 mt -59.75 -45.98 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.4 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -74.22 -19.46 60.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -90.99 -24.9 19.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -85.37 -53.42 5.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.791 ' HB3' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -43.42 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -90.24 -60.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER 167.08 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 168.51 37.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.0 63.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.791 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -69.66 139.76 88.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.546 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.96 92.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.705 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 4.0 mp0 -40.58 -27.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.72 -49.58 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.1 mp -77.38 -41.24 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -70.74 -4.15 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -92.33 -48.29 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.04 -8.98 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.47 -72.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.455 HG22 ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -123.98 -57.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.695 HD23 ' CB ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -121.6 167.29 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.36 -37.88 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.942 ' HB3' HG21 ' A' ' 41' ' ' THR . 2.2 mmp_? -59.52 145.58 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 11.6 m -164.94 -177.95 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.953 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER 66.91 47.2 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 45.73 35.34 5.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.942 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -41.1 -26.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.726 HD13 ' CD1' ' A' ' 62' ' ' PHE . 13.5 mt -63.23 -50.41 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -20.97 66.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.92 -44.9 37.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.588 HD12 ' HG ' ' A' ' 55' ' ' LEU . 1.3 tm? -78.8 -19.03 53.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.708 ' CD1' HD12 ' A' ' 55' ' ' LEU . 6.0 mp -90.09 0.29 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.33 -59.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.6 p30 -60.33 159.25 23.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -152.67 89.92 3.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.19 13.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.7 m0 68.17 37.69 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 t -64.84 -43.19 93.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 70.9 25.28 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.708 HD12 ' CD1' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 38.99 78.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -46.9 -29.78 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.589 ' HB2' HD23 ' A' ' 55' ' ' LEU . 6.9 m -53.39 -39.85 64.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 99.84 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.41 -26.99 68.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -33.46 75.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.478 HG22 HD21 ' A' ' 42' ' ' LEU . 22.9 m -58.29 -66.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.726 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -40.8 -42.75 1.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 111.005 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 22.0 ttt180 -65.2 -46.84 79.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.695 ' CB ' HD23 ' A' ' 35' ' ' LEU . 6.3 mmt85 -50.47 -50.03 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' TRP . 1.9 mpt? -53.29 -60.15 3.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.612 ' CE2' HG21 ' A' ' 7' ' ' ILE . 4.0 m0 -44.79 -27.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -65.71 -46.58 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.522 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -45.87 -51.19 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' HG23 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -75.24 -30.8 60.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 32.4 tt0 -55.01 -39.69 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 70' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.455 0.169 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.458 ' CB ' ' NE2' ' A' ' 111' ' ' GLN . 19.5 m -110.23 171.16 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.423 ' H ' HG22 ' A' ' 108' ' ' THR . 8.4 t0 -88.06 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.6 t -57.43 -51.14 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.506 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 7.0 mt-30 -58.82 -60.95 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -52.77 -20.8 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -85.9 -25.5 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.526 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 61.0 m -77.78 -59.67 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.067 ' CD2' HG13 ' A' ' 144' ' ' VAL . 7.2 tp -59.69 -40.36 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.55 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 57.4 t60 -51.87 -49.9 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.02 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.996 HG13 HD11 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -68.28 -27.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.594 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -49.35 -23.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -73.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 168.86 107.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.5 -60.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 1.012 ' O ' HD22 ' A' ' 129' ' ' LEU . 2.1 mtmt -149.53 29.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.49 ' HA ' ' CG2' ' A' ' 118' ' ' ILE . 0.8 OUTLIER -34.1 -53.71 0.88 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.0 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.578 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.3 m 24.11 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.7 OUTLIER -38.36 -31.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -66.34 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 1.012 HD22 ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -41.76 -53.64 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.634 ' HB3' HG11 ' A' ' 144' ' ' VAL . 33.1 mt-30 -42.57 -49.91 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.2 mm -77.52 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 129' ' ' LEU . 8.5 m -66.0 -46.47 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -68.99 -41.6 81.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.27 -42.51 93.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 139' ' ' LEU . 6.2 tm0? -79.05 -16.85 56.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.5 ' HB3' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -68.31 -38.22 81.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 2.9 mm? -113.28 -33.39 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -132.48 -110.8 1.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -179.34 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.61 138.95 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.9 pp -72.71 -4.15 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.3 -50.73 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 146' ' ' ASN . 14.3 t -69.04 -45.69 69.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 1.067 HG13 ' CD2' ' A' ' 115' ' ' LEU . 78.9 t -43.55 -35.9 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -39.89 56.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -40.56 -39.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -83.53 -68.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.634 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 11.5 m-85 -41.5 -26.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 147' ' ' PHE . 22.6 tpp -77.83 -54.51 6.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -68.47 -52.17 35.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' A' ' 119' ' ' PHE . . . -69.9 -82.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.88 HG23 HG21 ' A' ' 12' ' ' VAL . 1.7 mp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 2.5 m120 -91.93 -170.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 1.6 m -100.61 -58.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -32.39 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.9 67.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.88 HG21 HG23 ' A' ' 7' ' ' ILE . 2.6 p -73.98 -50.24 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -47.49 -58.38 4.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -26.84 64.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.78 -59.19 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.048 HD13 HD12 ' A' ' 42' ' ' LEU . 3.7 mt -38.66 -36.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.703 ' HA ' HD11 ' A' ' 25' ' ' ILE . 1.1 m -67.36 -51.02 57.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' ARG . 50.6 m -83.23 0.09 47.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -90.9 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.728 HD21 ' CE1' ' A' ' 30' ' ' PHE . 3.9 mp -53.66 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -90.75 -70.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.565 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 168.71 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.8 m-85 177.7 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.5 m -161.9 64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 17' ' ' THR . 47.6 mm -57.58 119.08 29.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 18.3 Cg_endo -74.97 84.94 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -37.82 -32.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.43 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' GLN . 2.1 mp -67.86 -50.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CE1' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -52.48 -27.6 16.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -91.83 -17.92 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -88.79 -7.8 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.424 ' HG3' ' NE1' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -91.03 -80.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -48.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -60.15 161.75 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 68.2 m -100.48 -36.1 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -171.78 96.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.555 ' HB2' HG22 ' A' ' 41' ' ' THR . 11.9 p -170.45 169.4 7.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -156.55 60.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.82 9.41 40.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.704 ' OG1' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -40.33 -32.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.048 HD12 HD13 ' A' ' 16' ' ' ILE . 13.4 mt -37.38 -46.51 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' ARG . 32.3 t -75.65 -42.13 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 56.3 m-20 -53.35 -58.3 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.043 HD11 HD21 ' A' ' 55' ' ' LEU . 2.0 pp -62.08 -25.38 67.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.691 HD12 ' O ' ' A' ' 42' ' ' LEU . 42.7 mt -90.74 1.71 56.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -41.1 -32.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -72.42 154.04 91.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 93.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.86 86.98 8.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 16.9 m0 55.77 60.64 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 108.017 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.2 t -89.91 -48.25 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 83.68 36.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 40.22 73.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -45.97 -41.51 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.93 -53.7 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -173.24 105.39 0.21 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -25.97 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -45.56 -47.75 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.5 HG22 HD21 ' A' ' 42' ' ' LEU . 2.1 m -50.61 -58.1 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -50.13 -38.77 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -67.01 -38.28 85.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.11 -60.57 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.721 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -55.27 -58.25 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 18.7 m0 -45.92 -55.53 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 18.6 mttt -40.76 -37.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CE3' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -58.89 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.818 HD21 HG12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.59 -6.95 28.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -78.13 -38.76 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.691 ' N ' ' HG ' ' A' ' 142' ' ' SER . 96.5 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.552 0.215 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -107.3 161.06 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.2 OUTLIER -86.83 -46.9 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.48 HG12 HD21 ' A' ' 137' ' ' LEU . 69.4 t -59.71 -48.27 88.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.613 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.2 tt0 -61.19 -61.52 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -56.46 -24.49 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 44.0 ttt180 -72.05 -32.72 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.566 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 54.4 m -68.77 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 133' ' ' ILE . 7.6 tp -57.69 -36.27 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.621 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 42.0 t60 -52.42 -41.79 63.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.31 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.974 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -65.23 -33.89 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.612 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.9 t80 -43.44 -25.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.38 -70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER 160.0 110.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.52 -69.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.96 ' O ' HD22 ' A' ' 129' ' ' LEU . 1.1 mttt -145.57 40.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.9 OUTLIER -39.27 -51.08 4.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.557 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.05 -91.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.557 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.0 m 25.29 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.606 ' O ' HD12 ' A' ' 131' ' ' ILE . 1.7 mmtt -45.33 -25.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 126' ' ' SER . 2.5 tp10 -74.01 -42.51 60.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.974 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -64.01 -62.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.703 ' N ' HD23 ' A' ' 129' ' ' LEU . 1.1 pt20 -41.77 -35.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 127' ' ' LYS . 58.7 mt -80.44 -39.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 129' ' ' LEU . 21.2 m -48.49 -57.49 6.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.686 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -57.96 -55.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -50.11 -24.73 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -90.96 -24.42 20.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.79 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 110' ' ' VAL . 4.5 mm? -70.65 -12.45 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.871 ' C ' HD22 ' A' ' 139' ' ' LEU . . . 70.35 63.62 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.871 HD22 ' C ' ' A' ' 138' ' ' GLY . 3.9 mm? -133.69 -98.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.556 ' OE1' HD23 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -178.66 -170.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.556 HD23 ' OE1' ' A' ' 140' ' ' GLU . 2.7 pp -47.54 -20.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.691 ' HG ' ' N ' ' A' ' 107' ' ' PHE . 3.5 t -32.5 -53.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.504 ' CB ' ' HG2' ' A' ' 111' ' ' GLN . 5.9 t -64.49 -52.05 59.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.629 HG13 ' CE2' ' A' ' 148' ' ' PHE . 95.5 t -44.05 -60.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.3 OUTLIER -59.52 -47.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 112' ' ' ARG . 52.1 t-20 -45.26 -51.88 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.621 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.6 t80 -78.17 -72.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.629 ' CE2' HG13 ' A' ' 144' ' ' VAL . 7.8 m-30 -33.07 -37.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.513 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.5 ttm -82.56 -52.22 7.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -59.15 -47.08 86.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.588 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.23 -73.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.648 ' CG2' ' CZ2' ' A' ' 66' ' ' TRP . 4.3 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 2.2 m-20 66.65 140.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.715 HG23 HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -103.43 -45.69 4.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -96.16 -43.8 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -65.51 -24.02 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 13' ' ' ALA . 4.9 p -75.4 -52.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . . . -48.07 -56.48 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -62.01 -22.84 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -72.78 -47.9 42.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.661 HD13 ' HB3' ' A' ' 65' ' ' MET . 2.9 mt -63.83 -16.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -91.03 -39.52 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.412 ' HA ' ' C ' ' A' ' 22' ' ' ARG . 32.9 m -90.76 -12.14 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.722 ' CB ' HD11 ' A' ' 69' ' ' LEU . 7.5 mm-40 -91.08 -57.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.841 ' HB3' HD13 ' A' ' 25' ' ' ILE . 2.7 mp -41.04 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.2 tttt -87.06 -54.57 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER 156.75 -23.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.3 OUTLIER 170.48 37.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 161.35 74.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -70.33 138.06 86.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.593 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.04 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.663 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 4.7 mp0 -40.08 -28.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.84 -47.8 83.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -67.07 -51.15 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -67.83 -4.94 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.17 -52.09 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -5.05 59.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.551 ' HE ' HG23 ' A' ' 34' ' ' VAL . 4.9 tpm_? -90.53 -77.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.887 HG11 ' O ' ' A' ' 64' ' ' ARG . 9.3 t -120.24 -78.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.674 HD11 ' HE3' ' A' ' 65' ' ' MET . 9.6 mt -60.09 176.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.0 m -96.75 -41.41 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.07 98.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 m -170.13 152.74 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.78 71.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 84.64 25.91 40.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.98 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 0.787 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.553 HD12 HD13 ' A' ' 16' ' ' ILE . 10.7 mt -48.91 -61.49 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -55.06 -44.2 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.499 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 57.5 m-20 -52.8 -56.7 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.95 HD13 HD11 ' A' ' 55' ' ' LEU . 4.0 pp -68.94 -20.8 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 9' ' ' THR . 0.4 OUTLIER -91.31 2.49 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -38.34 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.24 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.78 145.7 50.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 99.09 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -141.23 84.91 12.35 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.81 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.3 m0 67.14 43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.488 ' H ' HG21 ' A' ' 9' ' ' THR . 0.3 OUTLIER -83.59 -56.06 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 82.23 33.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.95 HD11 HD13 ' A' ' 45' ' ' LEU . 2.4 mm? 39.18 79.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -24.65 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -57.59 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.072 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 99.74 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -28.44 15.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 0.783 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -48.94 -44.62 40.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 m -52.79 -58.76 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.759 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.63 -39.82 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' ARG . 1.1 mtm180 -64.77 -58.02 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.887 ' O ' HG11 ' A' ' 34' ' ' VAL . 1.4 ttm180 -35.34 -40.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.674 ' HE3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -73.68 -51.11 17.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.648 ' CZ2' ' CG2' ' A' ' 7' ' ' ILE . 13.3 m0 -54.17 -27.13 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.2 mtpt -63.13 -62.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.709 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.9 t90 -42.34 -48.27 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 19' ' ' GLU . 2.3 tp -62.65 -60.29 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.476 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -44.17 -52.04 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 70' ' ' GLN . 34.7 mm-40 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.585 ' CZ ' ' OD1' ' A' ' 146' ' ' ASN . 2.9 t80 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.516 0.198 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 151.99 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.13 -27.53 21.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.73 -46.27 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.756 ' HA ' HD11 ' A' ' 133' ' ' ILE . 6.0 mp0 -69.59 -59.29 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.714 HH21 ' HG2' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -49.65 -22.61 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.714 ' HG2' HH21 ' A' ' 112' ' ' ARG . 9.6 mtt180 -77.31 -43.88 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.46 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 63.1 m -63.67 -60.42 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.077 HD13 HG21 ' A' ' 133' ' ' ILE . 6.9 tp -55.37 -41.84 73.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.635 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 35.5 t60 -50.87 -34.09 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.14 -25.1 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.97 HG13 HD11 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -69.48 -24.9 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 151' ' ' ALA . 2.7 t80 -49.1 -19.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 69.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.621 ' CB ' HD13 ' A' ' 118' ' ' ILE . 1.6 tt0 -134.89 -76.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -178.23 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.735 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.6 OUTLIER -90.08 22.66 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.556 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 2.7 mtm180 -29.74 -57.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.556 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.01 -92.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 125' ' ' PRO . 35.3 m 32.41 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.42 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.7 OUTLIER -48.51 -44.29 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -49.94 75.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.97 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -46.13 -51.25 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.769 ' HG3' HG21 ' A' ' 144' ' ' VAL . 0.3 OUTLIER -46.64 -41.93 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.422 ' N ' ' HG2' ' A' ' 130' ' ' GLN . 3.1 mt -80.07 -23.33 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' LEU . 95.9 m -66.69 -47.12 73.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -71.69 -45.2 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.476 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 1.0 OUTLIER -57.59 -37.32 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.95 -21.3 26.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.645 ' C ' HD13 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -54.84 -48.99 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 136' ' ' GLN . 0.7 OUTLIER -116.98 -12.1 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -132.13 -132.0 3.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.499 HD12 ' OE1' ' A' ' 140' ' ' GLU . 0.2 OUTLIER -168.62 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.499 ' OE1' HD12 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -69.31 174.67 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -99.98 1.18 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.5 t -55.34 -50.91 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 146' ' ' ASN . 62.1 p -52.11 -40.01 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.769 HG21 ' HG3' ' A' ' 130' ' ' GLN . 45.0 t -61.78 -44.05 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.84 -45.95 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.585 ' OD1' ' CZ ' ' A' ' 107' ' ' PHE . 2.6 m-80 -43.02 -53.87 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.635 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.1 t80 -76.87 -70.61 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.695 ' CE2' ' CG1' ' A' ' 144' ' ' VAL . 7.1 m-30 -33.4 -34.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.518 ' O ' ' CG ' ' A' ' 152' ' ' ARG . 18.7 mmt -90.73 -46.0 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 146' ' ' ASN . 5.5 t-20 -61.91 -41.3 97.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.61 ' O ' ' CZ ' ' A' ' 119' ' ' PHE . . . -90.18 0.34 57.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 149' ' ' MET . 25.2 ptt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.031 HG23 HG21 ' A' ' 12' ' ' VAL . 4.1 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.44 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -84.16 -168.19 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.482 HG23 HD21 ' A' ' 46' ' ' LEU . 1.2 m -101.84 -55.61 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -97.4 -26.56 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.66 -27.31 45.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.031 HG21 HG23 ' A' ' 7' ' ' ILE . 7.8 p -70.64 -52.28 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.679 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -50.87 -63.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -27.31 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 19' ' ' GLU . 7.9 ttt180 -67.51 -59.84 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.896 ' CD1' HD12 ' A' ' 42' ' ' LEU . 4.6 mt -35.95 -43.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -58.42 -51.63 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 22' ' ' ARG . 4.9 m -88.35 1.06 55.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.84 -52.35 4.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.8 HD11 ' CD2' ' A' ' 68' ' ' TRP . 4.6 mm? -55.73 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.5 tttt -84.02 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER 160.91 -29.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.4 m-85 179.39 35.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.83 63.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.829 HD11 ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -57.49 125.38 71.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.505 ' HB2' HD12 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.97 80.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.49 -36.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -59.01 -60.17 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 26' ' ' PRO . 5.1 mt -59.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 1.219 ' CE2' HD23 ' A' ' 35' ' ' LEU . 21.4 t80 -69.84 -4.44 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -93.27 -41.79 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -15.67 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HD3' ' CE2' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -66.69 -79.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.891 HG13 HD22 ' A' ' 35' ' ' LEU . 2.5 p -125.6 -66.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.219 HD23 ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -68.03 149.15 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.639 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 2.1 p -55.37 -56.84 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.12 110.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 2.8 m -170.9 134.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.794 ' HB2' HG23 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -119.43 60.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 30.98 3.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.425 HG22 ' CE ' ' A' ' 65' ' ' MET . 2.4 t -52.78 -35.82 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.896 HD12 ' CD1' ' A' ' 16' ' ' ILE . 28.3 mt -47.57 -57.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -54.82 -38.13 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.97 -60.26 4.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.997 HD13 HD21 ' A' ' 55' ' ' LEU . 3.5 pp -62.4 -19.26 63.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.74 HD11 ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -89.8 4.07 50.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -33.45 -47.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.3 p-10 -72.4 146.18 88.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.2 OUTLIER -137.87 102.07 8.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 121.01 6.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m0 45.13 61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 46.5 t -91.29 -54.53 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 87.27 38.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.997 HD21 HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER 37.74 76.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -59.03 -31.65 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.415 ' HB2' HD22 ' A' ' 55' ' ' LEU . 4.5 m -54.0 -45.67 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.91 108.87 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -68.49 -25.75 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.52 -36.99 82.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.59 HG22 HD21 ' A' ' 42' ' ' LEU . 2.7 m -58.65 -64.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CE1' HD11 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -42.91 -47.32 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.537 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -61.96 -48.5 80.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.548 ' CG ' HD11 ' A' ' 35' ' ' LEU . 1.2 ttt180 -37.72 -48.11 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.8 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -65.29 -53.48 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.953 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.647 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 11.8 m0 -49.58 -36.95 25.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 108.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 14.7 mttt -51.11 -55.48 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.8 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -43.79 -59.29 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 108.016 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.52 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.72 -33.61 64.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -77.18 1.51 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 146' ' ' ASN . 2.0 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.51 0.195 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.442 HG21 ' NE2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -98.97 163.72 12.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.95 -41.48 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.2 p -66.84 -40.37 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.536 ' O ' HD11 ' A' ' 133' ' ' ILE . 35.0 mt-30 -66.86 -59.91 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -53.88 -18.9 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -82.68 -29.33 30.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.521 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 37.5 m -75.04 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.748 HD22 HG21 ' A' ' 133' ' ' ILE . 3.6 tp -59.37 -33.2 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.624 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 48.7 t60 -62.6 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.58 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.22 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.913 HG13 HD11 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -71.26 -49.7 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.55 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -44.48 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -69.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 170.0 104.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.548 ' HB2' HD13 ' A' ' 118' ' ' ILE . 1.6 m-20 -161.52 -76.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.899 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -149.62 42.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 15.1 mtm180 -58.11 -42.63 96.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.02 58.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.552 1.817 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 129' ' ' LEU . 2.8 m -150.99 90.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.421 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -46.41 -36.19 6.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -37.15 86.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.913 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.847 ' N ' HD23 ' A' ' 129' ' ' LEU . 25.9 tt0 -45.61 -40.4 8.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 127' ' ' LYS . 4.3 mt -81.74 -25.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 84.0 m -63.36 -50.32 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.748 HG21 HD22 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.18 -53.64 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.598 ' HB3' HG23 ' A' ' 144' ' ' VAL . 0.9 OUTLIER -55.28 -37.66 67.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 19.2 tt0 -86.23 -2.35 58.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.5 -44.62 20.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.485 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.5 mp -128.23 21.85 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -167.64 -120.31 0.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' SER . 1.1 pp 169.72 -34.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.754 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 153.04 38.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -2.97 49.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -60.6 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.526 HG21 ' OE1' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -49.72 -48.9 49.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.72 HG21 ' HG2' ' A' ' 130' ' ' GLN . 2.0 t -44.97 -49.3 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -40.2 89.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.513 ' HA ' ' CE2' ' A' ' 107' ' ' PHE . 36.6 t-20 -41.54 -45.29 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.628 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 0.8 OUTLIER -88.88 -68.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.517 ' HE1' HD21 ' A' ' 115' ' ' LEU . 5.4 m-85 -35.01 -35.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -80.01 -52.4 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.35 -50.31 72.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.628 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -73.15 -70.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.019 HG23 HG21 ' A' ' 12' ' ' VAL . 2.2 mp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.41 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.766 ' O ' HD21 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -100.62 -55.19 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.432 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.81 ' HG2' HD23 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -88.38 -42.58 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.4 mt-10 -58.11 -22.96 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.019 HG21 HG23 ' A' ' 7' ' ' ILE . 1.4 t -80.95 -58.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . . . -43.48 -38.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -79.17 -35.15 42.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -59.55 -40.95 88.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.764 HG13 HD11 ' A' ' 69' ' ' LEU . 3.7 mt -64.6 -63.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' TYR . 60.0 m -56.71 -16.99 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 17.3 m -92.02 -37.93 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ARG . 7.6 tp10 -81.46 -54.17 5.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.891 ' HB3' HD13 ' A' ' 25' ' ' ILE . 55.5 mt -39.79 -88.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -91.9 -60.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.605 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER 168.04 -28.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 173.21 36.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER 164.07 77.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.891 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -66.75 138.61 95.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.05 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.744 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 6.4 mp0 -40.52 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.96 -48.95 78.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.528 HG22 ' HG3' ' A' ' 33' ' ' ARG . 24.1 mm -68.77 -48.68 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CE2' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -71.11 -0.74 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -91.71 -47.82 7.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.19 1.33 56.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HG3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -90.31 -77.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.638 HG23 ' H ' ' A' ' 35' ' ' LEU . 30.0 m -122.72 -61.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.7 HD22 ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.87 168.9 19.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.565 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 84.1 m -85.01 -43.85 13.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 37' ' ' ARG . 2.9 ptm180 -172.12 101.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -170.49 139.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.483 ' HG2' ' CG ' ' A' ' 27' ' ' GLN . 1.3 pt20 -123.09 73.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 92.52 38.03 5.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.716 HG22 ' HE3' ' A' ' 65' ' ' MET . 0.0 OUTLIER -46.91 -21.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.422 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.955 HD22 ' CD1' ' A' ' 62' ' ' PHE . 33.5 mt -64.73 -57.19 9.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -13.39 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' A' ' 41' ' ' THR . 3.7 m-20 -80.72 -55.92 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.896 HD12 ' HG ' ' A' ' 55' ' ' LEU . 2.5 tm? -70.82 -21.57 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.81 HD23 ' HG2' ' A' ' 10' ' ' LYS . 7.9 mp -76.32 -1.92 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.5 tmt_? -37.41 -35.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -91.46 146.96 34.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.78 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' O ' HG21 ' A' ' 9' ' ' THR . 0.0 OUTLIER -146.09 106.25 4.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.47 13.32 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.3 m0 62.56 45.4 6.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 55' ' ' LEU . 1.2 t -79.33 -37.56 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.52 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.896 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 47.0 65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -47.39 -44.55 24.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -50.62 -46.61 58.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.4 77.99 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -17.62 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -47.57 -35.81 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.9 m -59.0 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.955 ' CD1' HD22 ' A' ' 42' ' ' LEU . 5.3 m-85 -52.63 -59.48 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -41.84 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 9.9 mmt180 -64.96 -52.6 55.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.716 ' HE3' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -47.07 -48.75 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.833 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.19 -31.82 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 3.2 ttpp -51.65 -53.24 40.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.627 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -50.76 -57.97 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 107.982 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.764 HD11 HG13 ' A' ' 16' ' ' ILE . 2.2 mt -55.41 -35.73 65.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -77.24 2.39 15.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' A' ' 146' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.5 0.191 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.5 m -97.91 158.4 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 1.1 t70 -86.71 -38.76 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.74 -47.53 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.586 ' HA ' HD11 ' A' ' 133' ' ' ILE . 79.5 mt-30 -59.29 -60.45 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.518 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -50.34 -21.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -80.35 -30.66 38.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.502 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 77.5 m -76.84 -57.76 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.691 HD22 HG21 ' A' ' 133' ' ' ILE . 5.2 tp -58.04 -52.08 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.58 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 21.4 t-160 -49.32 -40.97 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.62 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.83 HG13 HD11 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -74.55 -24.25 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.595 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 12.3 t80 -51.3 -23.75 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 174.79 106.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -176.04 -67.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.906 ' CB ' HD13 ' A' ' 129' ' ' LEU . 16.2 mmtt -135.39 36.55 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -43.73 -51.82 15.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.553 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.01 -92.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.6 m 25.33 76.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.96 -38.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 129' ' ' LEU . 12.7 pt-20 -61.62 -46.98 87.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.906 HD13 ' CB ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -51.98 -55.73 18.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.8 ' CG ' HG11 ' A' ' 144' ' ' VAL . 0.4 OUTLIER -42.19 -39.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.6 mt -84.83 -27.13 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.2 m -63.42 -46.21 87.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.691 HG21 HD22 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.65 -53.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -55.47 -36.37 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -79.66 -28.97 40.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.78 ' HB3' HD12 ' A' ' 137' ' ' LEU . 14.8 tp60 -52.22 -49.73 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' A' ' 136' ' ' GLN . 4.1 mp -126.52 33.69 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.778 ' C ' HD23 ' A' ' 139' ' ' LEU . . . -178.28 -127.91 1.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.778 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER 178.5 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -75.01 174.13 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.648 ' H ' HD13 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -97.03 0.64 49.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.443 ' N ' HD22 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -48.22 -59.37 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 134' ' ' SER . 3.1 t -53.55 -53.27 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.8 HG11 ' CG ' ' A' ' 130' ' ' GLN . 71.2 t -43.62 -47.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -57.3 -39.95 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.553 ' HA ' ' CE2' ' A' ' 107' ' ' PHE . 38.3 t-20 -45.36 -50.57 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 151' ' ' ALA . 0.1 OUTLIER -83.29 -68.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.604 ' CD1' HG13 ' A' ' 144' ' ' VAL . 6.2 m-85 -35.74 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 145' ' ' SER . 26.8 tpp -87.24 -44.4 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' PHE . 16.3 t30 -66.8 -49.36 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -76.91 -66.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.5 mp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 64.76 94.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.744 HG22 ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -56.54 -44.84 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.408 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -66.56 -57.38 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.4 mt-10 -60.22 -21.73 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.874 HG13 HD11 ' A' ' 16' ' ' ILE . 2.1 t -65.95 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.583 ' HB1' ' CA ' ' A' ' 43' ' ' SER . . . -43.93 -55.61 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -63.63 -30.64 71.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 19' ' ' GLU . 5.6 mtt180 -64.84 -67.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.874 HD11 HG13 ' A' ' 12' ' ' VAL . 2.7 mp -41.5 -30.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.764 HG22 ' HA ' ' A' ' 23' ' ' TYR . 3.4 m -68.48 -48.39 64.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 15' ' ' ARG . 49.4 m -91.31 -3.48 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -91.84 -49.28 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.856 ' HB3' HD13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -65.39 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.8 ttpp -84.13 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 1.4 ptt85 163.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.764 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER 174.14 36.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 167.11 76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.856 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.5 tp -70.35 132.92 87.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.787 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . 5.2 mp0 -36.97 -56.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -38.9 -43.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.609 HD13 ' HG2' ' A' ' 26' ' ' PRO . 1.4 mp -71.98 -50.05 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.639 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -64.78 -5.06 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -88.41 -47.37 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -3.99 58.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -91.09 -77.82 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.774 HG12 HD13 ' A' ' 35' ' ' LEU . 94.7 t -121.31 -80.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.774 HD13 HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -59.52 177.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.8 t -96.39 -42.03 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttm105 -171.76 90.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.41 122.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.437 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 3.2 tm0? -101.02 80.64 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 89.71 40.94 5.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.522 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -42.87 -26.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.746 HD12 HD13 ' A' ' 16' ' ' ILE . 14.2 mt -71.22 -65.1 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.583 ' CA ' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -47.26 -32.73 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' THR . 1.7 t0 -55.17 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.948 ' HB3' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -74.33 -17.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -91.49 3.49 54.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.511 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.31 -42.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.9 m-80 -78.55 127.8 79.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 93.05 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 153.69 23.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 123.0 7.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 58.56 58.53 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 t -40.94 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.4 25.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.948 HD21 ' HB3' ' A' ' 45' ' ' LEU . 3.1 mm? -106.83 33.86 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -28.83 13.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.0 m -59.85 -52.3 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 61' ' ' THR . . . -117.47 70.32 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -16.66 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -35.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 62' ' ' PHE . 7.4 t -73.91 -54.58 7.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.744 ' CE2' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -50.78 -51.95 45.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.598 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.7 ttt180 -54.41 -60.56 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.459 ' O ' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -37.24 -40.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.676 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.18 -60.83 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.628 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 2.7 m0 -46.57 -26.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -63.32 -50.89 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.517 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -47.53 -50.61 23.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -65.84 -36.6 83.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.38 -41.78 94.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' GLN . 10.1 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.545 ' CD2' ' ND2' ' A' ' 146' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.49 0.186 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.475 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 4.6 m -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 108' ' ' THR . 8.1 t0 -90.39 -47.25 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 111' ' ' GLN . 10.9 p -51.24 -51.05 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.649 ' HA ' HD11 ' A' ' 133' ' ' ILE . 1.5 pp0? -53.07 -52.79 57.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.493 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 40.6 ttp180 -53.45 -18.45 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -42.84 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.518 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 8.8 m -77.86 -48.08 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.074 HD21 HG22 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -47.7 -51.3 22.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.68 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 3.1 t-160 -59.98 -40.27 88.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -56.74 -18.71 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.719 HG12 HD21 ' A' ' 129' ' ' LEU . 0.7 OUTLIER -83.63 -36.94 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.829 ' CE2' ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -50.29 -28.19 7.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -78.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 175.52 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -152.81 -69.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 129' ' ' LEU . 21.1 mtmt -140.95 37.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HA ' HG23 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -40.29 -49.5 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.692 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.04 -87.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 125' ' ' PRO . 4.3 m 6.64 79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.632 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.2 OUTLIER -39.2 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 132' ' ' THR . 4.1 tp10 -70.06 -50.41 41.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 1.036 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -39.38 -52.48 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 1.036 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.8 OUTLIER -56.49 -42.7 78.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 127' ' ' LYS . 1.9 mp -81.88 -3.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 128' ' ' GLU . 35.8 m -90.03 -45.21 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -72.94 -42.15 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.669 ' HB3' HG23 ' A' ' 144' ' ' VAL . 2.1 p -67.52 -44.32 78.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 131' ' ' ILE . 61.2 tt0 -71.46 -32.39 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 132' ' ' THR . 54.8 tt0 -76.44 -45.38 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 38.16 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.715 ' C ' HD23 ' A' ' 139' ' ' LEU . . . 172.6 -117.56 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER 175.14 -35.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.39 -171.92 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.4 pp -100.42 -7.59 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' SER . 0.2 OUTLIER -48.82 -61.06 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.659 HG23 ' HB2' ' A' ' 134' ' ' SER . 0.5 OUTLIER -40.08 -53.4 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 1.074 HG22 HD21 ' A' ' 115' ' ' LEU . 25.0 t -50.42 -41.84 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.84 -38.29 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.545 ' ND2' ' CD2' ' A' ' 107' ' ' PHE . 8.7 t-20 -51.21 -52.85 40.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.68 ' CE1' ' HA ' ' A' ' 116' ' ' HIS . 3.1 t80 -78.99 -67.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.741 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 4.7 m-30 -34.4 -42.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -71.67 -51.88 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -55.48 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.829 ' HB1' ' CE2' ' A' ' 119' ' ' PHE . . . -68.27 -70.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.923 HG23 HG21 ' A' ' 12' ' ' VAL . 1.5 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.489 ' ND2' ' NE1' ' A' ' 52' ' ' TRP . 4.2 m120 -79.33 -174.39 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.782 HG22 HD21 ' A' ' 46' ' ' LEU . 1.2 m -95.3 -58.28 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.65 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -86.37 -44.38 12.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -22.1 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.923 HG21 HG23 ' A' ' 7' ' ' ILE . 1.2 t -72.51 -61.24 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.653 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -43.62 -56.0 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.57 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.699 HG21 ' HG2' ' A' ' 65' ' ' MET . 3.3 mt -38.81 -39.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.745 ' HA ' HD11 ' A' ' 25' ' ' ILE . 2.3 m -61.55 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' ARG . 88.9 m -90.78 -1.37 57.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -96.36 -27.85 14.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.904 HD21 ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -85.4 -93.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -80.42 -6.95 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 84.56 -18.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.259 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 167.87 38.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -170.97 63.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 17' ' ' THR . 38.9 mm -59.23 115.93 14.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLN . 18.1 Cg_endo -75.0 83.65 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.599 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 2.9 mp0 -38.02 -42.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -63.67 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ARG . 39.7 mm -57.44 -57.08 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.904 ' CE1' HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.69 -17.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -92.71 -34.42 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -92.13 -0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -91.52 -78.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.646 HG13 HD22 ' A' ' 35' ' ' LEU . 7.2 p -123.24 -58.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.646 HD22 HG13 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -61.52 166.6 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.57 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -90.36 -49.27 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 89.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -170.85 139.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -103.81 64.21 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' THR . . . 99.35 34.54 5.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.541 ' OG1' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -34.63 -36.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.922 HD21 ' CD1' ' A' ' 62' ' ' PHE . 1.8 mt -39.44 -49.33 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -45.01 71.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -49.14 -59.42 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.652 HD12 HD12 ' A' ' 46' ' ' LEU . 1.3 pp -61.33 -21.06 63.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.782 HD21 HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -87.35 1.73 52.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -41.42 -28.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 46' ' ' LEU . 7.2 p-10 -86.95 152.8 54.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.0 OUTLIER -156.55 85.89 3.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.79 11.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.807 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.489 ' NE1' ' ND2' ' A' ' 8' ' ' ASN . 5.4 m0 54.53 53.79 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.641 ' H ' HG21 ' A' ' 9' ' ' THR . 31.1 t -90.12 -41.61 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 75.75 17.81 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER 39.43 68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -47.96 -44.6 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 m -97.0 59.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.52 55.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -43.36 56.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.3 -32.92 51.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.657 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -58.64 -66.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.922 ' CD1' HD21 ' A' ' 42' ' ' LEU . 2.0 m-85 -43.09 -52.97 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' TRP . 10.7 ttm180 -54.48 -54.59 38.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -36.63 -42.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.699 ' HG2' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.38 -47.77 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.77 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 2.6 m0 -54.71 -30.45 56.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.065 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.97 -54.13 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.621 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.1 t90 -46.74 -52.42 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.525 ' CD2' HD13 ' A' ' 20' ' ' LEU . 3.5 mt -50.45 -47.76 56.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -71.76 -75.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.514 0.197 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 111' ' ' GLN . 9.5 t -106.11 175.29 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -92.02 -46.87 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.523 ' HB ' HD22 ' A' ' 137' ' ' LEU . 15.9 m -40.46 -49.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.971 ' NE2' HG21 ' A' ' 143' ' ' THR . 0.0 OUTLIER -70.08 -55.33 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.2 ptt180 -54.08 -16.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -82.01 -39.92 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.559 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 16.3 m -74.6 -55.86 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.028 HD22 ' CE2' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -55.12 -36.15 65.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.623 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 30.6 t-80 -67.11 -31.68 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.16 -18.15 61.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.96 HG13 HD11 ' A' ' 129' ' ' LEU . 0.9 OUTLIER -75.98 -44.7 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -41.74 -27.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 118' ' ' ILE . 10.4 mmtt -68.5 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -179.25 104.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.412 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -155.34 -62.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.672 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -160.13 41.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 18.6 mtm180 -58.17 -42.63 95.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.01 56.43 4.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 m -153.41 105.89 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.44 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -30.79 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.96 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -61.5 -53.72 52.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.573 ' HG3' ' CE2' ' A' ' 148' ' ' PHE . 0.4 OUTLIER -49.68 -36.16 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.425 HG13 ' NE2' ' A' ' 130' ' ' GLN . 1.1 mp -83.56 -24.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 129' ' ' LEU . 49.7 m -68.05 -48.47 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.84 HG21 ' HG ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -66.16 -44.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 139' ' ' LEU . 2.2 p -58.59 -40.29 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -80.54 -21.14 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -62.42 -42.17 99.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.523 HD22 ' HB ' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -126.37 23.54 6.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . 177.31 -120.42 0.73 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 168.85 -32.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -76.8 146.59 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.17 -6.83 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.9 m -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.971 HG21 ' NE2' ' A' ' 111' ' ' GLN . 15.2 p -65.72 -49.19 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.768 ' HA ' HD12 ' A' ' 115' ' ' LEU . 47.8 t -41.62 -53.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -52.48 -44.88 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 145' ' ' SER . 20.1 t-20 -36.77 -49.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 1.028 ' CE2' HD22 ' A' ' 115' ' ' LEU . 6.3 t80 -91.65 -69.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 130' ' ' GLN . 1.2 m-30 -34.5 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -87.58 -49.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 147' ' ' PHE . 9.0 t30 -65.09 -45.99 82.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.742 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -79.44 -62.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.554 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.605 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER 74.92 161.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.704 HG21 ' HA ' ' A' ' 52' ' ' TRP . 11.6 p -102.3 -39.13 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 25.8 tttt -90.35 -49.2 6.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.2 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.746 HG21 ' NE1' ' A' ' 66' ' ' TRP . 6.3 p -67.46 -47.61 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -50.15 -58.65 5.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.59 -45.38 93.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 1.3 mtp85 -51.85 -32.65 32.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 13' ' ' ALA . 9.4 mt -65.52 -63.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -55.29 -25.67 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -91.08 -19.58 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 2.4 mm-40 -93.82 -16.39 24.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.854 ' HB3' HD13 ' A' ' 25' ' ' ILE . 1.2 mt -90.22 -93.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -91.46 1.15 57.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 88.02 -24.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 164.48 37.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 178.24 72.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.854 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -91.49 140.85 25.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.06 85.71 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.718 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.18 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.68 -51.23 70.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' PRO . 11.1 mt -76.14 -44.28 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.3 t80 -66.94 -4.65 10.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -91.16 -52.08 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.55 0.4 55.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.438 ' NH1' ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -77.73 -66.81 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 64' ' ' ARG . 90.2 t -120.33 -73.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.615 HD23 ' CB ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -109.51 149.51 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -51.82 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.337 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.818 ' HB3' HG21 ' A' ' 41' ' ' THR . 9.0 mmt85 -59.96 150.25 29.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 48.8 m -167.81 -178.35 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 78.31 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.09 31.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.818 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -51.76 -20.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.458 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.818 HD13 ' SD ' ' A' ' 65' ' ' MET . 1.1 mp -66.14 -54.33 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.425 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -56.55 -17.67 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.77 -56.81 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -79.64 -15.63 57.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 62' ' ' PHE . 3.1 mm? -91.53 -6.53 52.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.4 ttt180 -38.18 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.508 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -59.04 178.24 0.22 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.02 58.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.575 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER 31.69 56.53 1.07 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 16.23 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.704 ' HA ' HG21 ' A' ' 9' ' ' THR . 5.3 m-90 71.28 40.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' TRP . 3.2 t -36.74 -66.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 69.84 18.34 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.17 HD23 ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm? 38.3 74.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -62.42 -32.51 73.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -84.48 50.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.77 58.91 0.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -50.18 -29.65 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.15 -29.71 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.9 m -66.53 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 1.17 ' CD1' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -42.46 -54.04 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.7 ttt-85 -64.84 -54.92 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.65 ' O ' HG11 ' A' ' 34' ' ' VAL . 6.4 mtt180 -36.95 -38.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.818 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -68.17 -51.62 43.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.746 ' NE1' HG21 ' A' ' 12' ' ' VAL . 2.0 m0 -54.96 -24.61 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 2.2 mttt -76.18 -31.05 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.653 ' CE3' HD22 ' A' ' 20' ' ' LEU . 5.8 t90 -62.39 -44.07 97.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD22 HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.31 -20.78 29.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 3.1 tp60 -50.9 -61.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' GLN . 22.8 mm-40 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.467 0.175 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 110' ' ' VAL . 35.7 m -107.96 152.17 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.52 -38.35 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.692 HG11 HD22 ' A' ' 137' ' ' LEU . 58.4 t -59.12 -46.81 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.82 ' HA ' HD11 ' A' ' 133' ' ' ILE . 0.7 OUTLIER -67.75 -58.63 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.788 HH21 ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -50.38 -21.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.21 -37.67 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.547 HG21 HG12 ' A' ' 133' ' ' ILE . 30.9 m -67.86 -59.59 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 133' ' ' ILE . 3.3 tp -56.45 -45.86 80.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.788 ' CG ' HH21 ' A' ' 112' ' ' ARG . 20.8 t-80 -53.79 -28.72 36.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -79.21 -21.6 46.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.536 HG13 HD11 ' A' ' 129' ' ' LEU . 27.5 mm -70.87 -45.24 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.5 t80 -38.31 -35.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -56.19 -68.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.8 mt-10 165.99 101.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -154.01 -70.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.7 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -139.47 15.54 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 1.3 ttp180 -34.51 -53.55 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.98 67.77 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 36.6 m -165.05 89.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.6 OUTLIER -48.82 -32.91 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -37.09 86.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.7 HD13 ' CB ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -61.39 -52.49 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.762 ' HG3' HG11 ' A' ' 144' ' ' VAL . 3.3 tm0? -46.46 -35.92 6.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 127' ' ' LYS . 5.5 mt -86.17 -24.6 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 97.9 m -68.09 -47.85 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.832 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -65.37 -45.9 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 139' ' ' LEU . 1.0 OUTLIER -63.54 -36.92 85.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.65 -8.32 58.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -46.52 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.692 HD22 HG11 ' A' ' 110' ' ' VAL . 1.9 mp -127.59 28.5 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.495 ' O ' HD23 ' A' ' 139' ' ' LEU . . . -171.03 -121.3 0.58 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.55 HD12 ' HG2' ' A' ' 140' ' ' GLU . 0.5 OUTLIER 170.92 -40.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.55 ' HG2' HD12 ' A' ' 139' ' ' LEU . 43.1 mm-40 -78.85 161.0 27.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 141' ' ' LEU . 0.6 OUTLIER -86.54 0.43 54.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -56.67 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 144' ' ' VAL . 2.3 t -52.6 -52.89 53.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.762 HG11 ' HG3' ' A' ' 130' ' ' GLN . 62.9 t -41.64 -46.9 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.27 -44.26 75.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -42.35 -45.51 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.595 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.2 t80 -90.34 -71.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.716 ' CD1' HG13 ' A' ' 144' ' ' VAL . 5.0 m-85 -34.3 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -82.55 -51.68 7.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 147' ' ' PHE . 28.1 t30 -62.99 -47.95 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.595 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -77.54 -66.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.578 ' HB2' HD12 ' A' ' 7' ' ' ILE . 2.6 m-20 157.27 166.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.602 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 60.5 p -103.21 -46.45 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.65 -39.38 9.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -30.19 69.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.778 HG23 HG12 ' A' ' 7' ' ' ILE . 7.1 p -67.17 -55.02 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.756 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -45.28 -40.32 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -78.34 -36.53 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -63.37 -30.22 71.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.821 HD13 ' HG2' ' A' ' 65' ' ' MET . 6.0 mt -69.96 -52.91 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.711 HG22 ' HA ' ' A' ' 23' ' ' TYR . 89.2 m -69.71 -21.6 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 m -91.57 -27.76 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 7.3 tt0 -85.65 -54.91 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.763 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -46.15 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.4 tmtt? -90.21 -57.67 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.57 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 157.79 -23.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.711 ' HA ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER 170.92 37.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER 164.91 75.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.038 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.718 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -67.39 137.95 93.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.639 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.4 Cg_endo -74.96 106.38 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.3 mp0 -35.02 -68.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -31.97 -50.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' ' 26' ' ' PRO . 1.6 mp -59.5 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -60.92 -10.83 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -92.41 -36.31 13.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -91.98 -12.31 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' HG2' ' NE1' ' A' ' 68' ' ' TRP . 5.6 mpt_? -79.47 -82.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG13 HD13 ' A' ' 35' ' ' LEU . 10.1 p -123.43 -54.87 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD22 ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -69.48 169.98 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.659 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 1.4 t -95.49 -40.41 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.12 92.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 m -166.28 131.94 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.462 ' OE1' ' CG ' ' A' ' 27' ' ' GLN . 6.9 pm0 -127.62 69.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.33 28.95 6.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.601 HG22 ' HE2' ' A' ' 65' ' ' MET . 1.8 t -50.94 -19.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.625 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mp -69.12 -52.12 31.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -20.51 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.982 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -59.05 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -68.37 -20.32 64.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.692 HD21 ' CE1' ' A' ' 62' ' ' PHE . 2.8 mm? -85.48 -20.75 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -39.52 -35.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.403 ' ND2' ' HD3' ' A' ' 50' ' ' LYS . 33.8 p30 -66.04 146.38 99.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 70.93 5.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HD3' ' ND2' ' A' ' 48' ' ' ASN . 2.5 mtpp -133.37 90.06 30.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 126.8 10.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.515 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 0.6 OUTLIER 70.69 50.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 4.7 t -84.37 -60.65 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 90.04 43.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.715 HD23 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 38.21 55.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -26.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 55' ' ' LEU . 12.5 m -100.16 62.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.82 61.87 0.51 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.11 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -47.91 -42.97 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 3.0 m -53.59 -55.75 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.715 ' CE1' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -45.53 -35.97 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.517 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.5 ttp85 -76.39 -31.25 57.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.517 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -61.4 -33.62 73.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.821 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.27 -58.63 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.762 ' NE1' HG21 ' A' ' 12' ' ' VAL . 3.7 m0 -46.63 -27.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -64.88 -53.34 48.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.8 t90 -47.09 -49.49 21.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.763 HD23 ' CD1' ' A' ' 20' ' ' LEU . 22.2 mt -54.7 -40.55 69.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -79.07 -77.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.443 ' N ' ' HB3' ' A' ' 142' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.528 0.204 . . . . 0.0 111.033 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 m -117.99 171.61 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.48 -42.04 11.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.2 t -50.1 -51.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.698 ' HA ' HD11 ' A' ' 133' ' ' ILE . 6.4 mt-30 -64.23 -57.35 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 3.9 tmm_? -44.13 -26.69 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 111' ' ' GLN . 5.1 mtp180 -76.32 -43.5 40.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.546 HG21 HG12 ' A' ' 133' ' ' ILE . 39.4 m -61.12 -61.89 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.883 HD13 HG21 ' A' ' 133' ' ' ILE . 4.2 tp -55.1 -41.48 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 41.7 t60 -53.89 -27.99 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.39 -22.2 30.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.737 HG13 HD21 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -66.68 -44.67 89.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.573 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.3 t80 -40.81 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.33 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 1.1 pt-20 161.67 111.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 17.0 t30 -176.55 -76.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.661 ' O ' HD12 ' A' ' 129' ' ' LEU . 18.1 mmtt -133.36 35.36 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 63.6 mtm180 -56.34 -41.18 89.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.96 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.0 m -27.6 92.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.3 mmtt -46.89 -32.78 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 131' ' ' ILE . 21.1 tp10 -66.07 -54.24 28.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -42.16 -45.57 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 1.008 ' N ' HD13 ' A' ' 129' ' ' LEU . 11.3 tt0 -55.12 -43.1 73.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' GLU . 19.1 mm -84.06 -11.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 67.7 m -75.76 -43.12 48.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.883 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.81 -47.3 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.578 ' HA ' HG21 ' A' ' 143' ' ' THR . 1.0 OUTLIER -56.32 -38.23 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -84.43 -27.79 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.635 ' HB3' HD22 ' A' ' 137' ' ' LEU . 2.8 tp-100 -47.26 -50.41 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.7 OUTLIER -113.73 -26.21 8.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -115.66 -136.05 5.88 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.48 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.413 ' O ' ' OG ' ' A' ' 134' ' ' SER . 0.4 OUTLIER -76.58 -179.44 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 141' ' ' LEU . 1.5 pp -100.49 2.95 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.443 ' HB3' ' N ' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -49.77 -59.72 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.578 HG21 ' HA ' ' A' ' 134' ' ' SER . 1.4 t -48.67 -57.07 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.748 HG13 ' CD1' ' A' ' 148' ' ' PHE . 62.2 t -40.75 -41.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.6 OUTLIER -58.94 -47.43 85.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 143' ' ' THR . 28.4 t-20 -43.13 -42.82 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.647 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.4 t80 -87.59 -73.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.748 ' CD1' HG13 ' A' ' 144' ' ' VAL . 7.0 m-85 -35.17 -33.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -79.69 -53.29 6.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -65.11 -49.29 70.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.647 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -70.53 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.811 HG23 HG21 ' A' ' 12' ' ' VAL . 2.6 mp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.415 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 1.1 t30 -79.57 -165.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.751 ' O ' HD21 ' A' ' 46' ' ' LEU . 1.8 m -103.99 -55.88 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.9 ttpt -82.35 -49.96 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -57.51 -25.28 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.811 HG21 HG23 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -77.67 -59.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.552 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -45.73 -53.66 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' THR . 3.1 mm-40 -62.97 -25.51 68.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -63.99 -65.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.74 HD13 ' HG2' ' A' ' 65' ' ' MET . 2.5 mp -46.77 -29.03 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.654 ' HA ' HD11 ' A' ' 25' ' ' ILE . 1.1 m -69.1 -49.87 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -90.34 -1.46 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -92.55 -56.37 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.764 HD11 ' CE3' ' A' ' 68' ' ' TRP . 1.8 mp -55.57 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 21' ' ' LYS . 3.4 tmtt? -87.99 -63.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.594 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 160.21 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 3.6 m-85 -179.89 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 m -162.62 65.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.664 HD11 ' O ' ' A' ' 16' ' ' ILE . 24.3 mm -57.4 116.09 12.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HB2' ' CG1' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.91 96.02 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.4 ' CA ' ' HB3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -51.22 -43.08 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.09 64.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.525 HG22 ' HG3' ' A' ' 33' ' ' ARG . 28.6 mm -84.39 -55.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -64.47 -9.66 20.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . . . -90.15 -42.35 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -92.14 -4.39 54.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HG3' HG22 ' A' ' 29' ' ' ILE . 12.2 mmt-85 -88.75 -81.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -123.16 -61.83 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.62 ' CD2' ' HE3' ' A' ' 65' ' ' MET . 3.2 mp -59.36 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -57.58 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -171.78 88.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.9 p -171.54 124.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 pp0? -107.77 71.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' SER . . . 112.97 30.0 2.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -27.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.736 ' O ' HD13 ' A' ' 46' ' ' LEU . 20.0 mt -67.02 -49.65 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLY . 23.9 m -65.84 -11.65 48.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -90.93 -41.11 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 45' ' ' LEU . 1.1 tm? -82.57 -19.66 38.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.751 HD21 ' O ' ' A' ' 9' ' ' THR . 6.3 mp -80.95 -2.7 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.94 -38.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' CE ' ' A' ' 50' ' ' LYS . 14.2 p30 -77.3 135.31 65.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.546 ' CE ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -147.5 119.25 4.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.32 9.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.5 m0 66.45 59.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.596 ' H ' HG21 ' A' ' 9' ' ' THR . 41.0 t -74.9 -10.65 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.03 32.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.917 HD23 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 41.95 75.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -45.1 18.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.52 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -146.91 97.99 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -45.91 -35.65 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.29 -32.24 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.8 m -59.21 -65.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.917 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 64' ' ' ARG . 6.2 ttt180 -62.22 -60.27 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -37.23 -33.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -71.88 -54.64 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.668 ' CH2' HG21 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -57.15 -24.83 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.9 -48.05 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.764 ' CE3' HD11 ' A' ' 20' ' ' LEU . 2.9 t90 -51.07 -49.84 59.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.64 HD23 ' CD1' ' A' ' 20' ' ' LEU . 29.3 mt -47.0 -45.97 21.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -85.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.5 0.191 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 m -96.4 151.85 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.27 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.31 -45.41 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.826 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.4 mp0 -67.96 -58.59 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -53.98 -24.03 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -71.49 -37.53 71.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.484 ' HB ' HD11 ' A' ' 133' ' ' ILE . 7.5 m -70.06 -59.37 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 133' ' ' ILE . 10.5 tp -56.11 -47.38 78.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.592 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 16.3 t60 -48.23 -39.9 22.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -62.59 -32.14 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.795 HD13 ' HB2' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -69.59 -20.18 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -52.52 -19.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.76 66.48 1.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.795 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.7 OUTLIER -149.7 -80.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 0.8 OUTLIER 159.35 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.567 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER 165.38 48.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 10.1 mtm105 -79.91 -40.83 1.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.97 -95.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 125' ' ' PRO . 2.2 m 26.57 85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.824 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -44.84 -26.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 126' ' ' SER . 8.3 tp10 -72.6 -41.72 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -61.68 -61.87 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.416 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 4.0 pt20 -40.13 -40.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.824 HD12 ' O ' ' A' ' 127' ' ' LYS . 9.9 mt -78.89 -35.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 129' ' ' LEU . 54.6 m -57.93 -58.8 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.826 HD11 ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -51.11 -57.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.561 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -49.21 -58.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 135' ' ' GLN . 4.9 tt0 -56.46 -30.1 62.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.878 ' HB3' HD22 ' A' ' 137' ' ' LEU . 10.6 tt0 -50.28 -60.03 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.878 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.3 OUTLIER -114.89 27.24 9.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -179.59 -125.8 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.542 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER 160.71 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 134' ' ' SER . 3.1 tp10 176.44 166.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.237 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -92.82 0.38 57.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.27 -63.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.978 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 2.8 t -46.84 -47.08 21.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.641 ' CG1' ' CD2' ' A' ' 148' ' ' PHE . 66.2 t -44.69 -51.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.62 -32.65 63.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 143' ' ' THR . 19.8 t-20 -52.55 -49.92 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 151' ' ' ALA . 0.2 OUTLIER -87.92 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.641 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 3.7 m-30 -33.48 -36.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -88.18 -51.64 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 146' ' ' ASN . 4.0 m-20 -55.54 -41.6 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.626 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -89.63 -75.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.62 ' CG2' ' CZ3' ' A' ' 66' ' ' TRP . 2.9 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.443 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 32.3 m-80 -116.07 -172.89 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.69 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 22.3 p -104.18 -56.4 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.364 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -92.36 -38.02 12.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -70.22 -24.05 63.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -78.22 -50.82 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HB1' ' N ' ' A' ' 43' ' ' SER . . . -44.09 -52.29 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -27.37 66.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.6 -64.52 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.809 HD13 HD12 ' A' ' 42' ' ' LEU . 3.7 mt -39.03 -44.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 23' ' ' TYR . 53.9 m -56.15 -48.43 76.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.637 HG23 ' HD2' ' A' ' 22' ' ' ARG . 23.6 m -90.76 -1.16 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.34 -52.8 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.841 ' HB3' HD13 ' A' ' 25' ' ' ILE . 1.8 mm? -55.08 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 4.7 tmtm? -90.93 -61.78 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HD2' HG23 ' A' ' 18' ' ' THR . 4.0 tpt85 166.57 -28.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 170.84 36.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m 174.6 73.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.19 140.62 49.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.507 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 90.58 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 5.8 mp0 -41.55 -28.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.13 -45.86 92.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -78.95 -51.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.617 ' CZ ' ' CE ' ' A' ' 65' ' ' MET . 0.6 OUTLIER -56.13 -14.51 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.63 -39.04 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -92.57 3.03 56.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' CD ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -89.57 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 64' ' ' ARG . 74.6 t -117.17 -85.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.815 HD23 ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -90.79 176.4 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -93.55 -44.06 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.56 ' HB3' HG21 ' A' ' 41' ' ' THR . 12.7 mtt-85 -64.55 112.23 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -116.6 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 71.9 46.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 49.85 41.26 35.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.56 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -37.99 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 46' ' ' LEU . 17.2 mt -56.66 -64.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -41.78 -50.09 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 80.8 m-20 -50.13 -61.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.854 HD13 ' O ' ' A' ' 45' ' ' LEU . 2.9 tm? -58.08 -23.29 54.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -84.82 4.92 30.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -32.34 -38.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' LEU . 7.0 p-10 -85.22 143.35 39.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 100.77 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -140.89 107.29 6.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 128.61 11.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.529 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 13.0 m0 47.73 52.02 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.7 t -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 91.93 32.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.846 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER 39.85 74.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -40.19 -40.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.63 -53.46 30.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.64 105.78 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -62.88 -15.66 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.9 p -49.54 -53.56 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.69 ' CZ ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -50.14 -62.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -57.8 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.815 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -41.53 -35.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.767 ' SD ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -72.06 -56.82 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.62 ' CZ3' ' CG2' ' A' ' 7' ' ' ILE . 1.8 m0 -54.85 -22.71 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -44.8 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CD2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -50.04 -53.6 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.737 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.11 -39.86 83.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -57.37 10.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.472 0.177 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -118.47 166.6 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.07 -37.7 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.33 -51.14 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.546 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -57.16 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -45.6 -32.43 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.484 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 49.8 m -68.72 -60.61 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.838 HD22 HG22 ' A' ' 144' ' ' VAL . 6.6 tp -57.14 -43.65 82.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.641 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 6.4 t-80 -51.81 -33.95 37.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.63 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.66 -22.79 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.957 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -69.46 -40.12 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.641 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -42.73 -32.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.9 mttm -49.23 -65.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.1 mt-10 162.89 107.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.25 -65.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.934 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -148.8 47.03 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 26.9 mtm105 -52.5 -43.95 93.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.644 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -74.99 -90.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.644 ' C ' ' O ' ' A' ' 125' ' ' PRO . 14.4 m 15.02 75.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 126' ' ' SER . 2.0 mmtm -39.68 -34.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.86 -50.74 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.957 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -44.19 -56.74 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.693 ' HG3' HG21 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -43.75 -46.59 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.0 mt -74.85 -26.05 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' ' 129' ' ' LEU . 6.8 m -65.06 -53.08 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.744 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.01 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.541 ' HA ' HG21 ' A' ' 143' ' ' THR . 1.0 OUTLIER -48.63 -55.56 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.78 -24.29 66.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.0 tt0 -51.35 -57.85 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 mp -116.86 14.46 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.358 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.805 ' O ' HD23 ' A' ' 139' ' ' LEU . . . -147.27 -143.13 3.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 138' ' ' GLY . 12.0 mt -151.03 -46.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 134' ' ' SER . 0.1 OUTLIER -88.23 177.69 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.74 1.4 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.33 -54.48 5.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.541 HG21 ' HA ' ' A' ' 134' ' ' SER . 1.2 t -51.1 -54.62 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.838 HG22 HD22 ' A' ' 115' ' ' LEU . 57.4 t -44.39 -43.66 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.4 OUTLIER -56.18 -40.8 74.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 143' ' ' THR . 55.0 t-20 -49.81 -54.08 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.6 t80 -73.99 -65.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 115' ' ' LEU . 3.8 m-85 -40.0 -27.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.8 ttp -87.71 -53.52 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -78.48 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' PHE . 46.7 ttt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.573 HG21 ' CE2' ' A' ' 66' ' ' TRP . 1.3 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.01 179.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.73 ' O ' HD21 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -101.41 -44.86 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.636 ' HA ' HD23 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -91.89 -36.31 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.59 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 16' ' ' ILE . 5.4 p -68.46 -44.46 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 42' ' ' LEU . . . -59.54 -59.08 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -26.75 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 19' ' ' GLU . 16.3 ttt180 -67.5 -64.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.4 mt -40.74 -32.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 1.1 m -68.03 -48.84 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' ARG . 8.7 m -89.18 -1.43 58.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.05 -41.14 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.029 HD23 HD13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -76.42 -87.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.3 tmtt? -79.72 -67.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.551 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 166.43 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 174.0 36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m 174.88 72.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.029 HD13 HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.58 137.44 88.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.614 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 96.2 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.652 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -41.25 -28.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -65.43 -36.6 84.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.614 ' N ' ' O ' ' A' ' 26' ' ' PRO . 34.5 mm -76.51 -54.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CE2' ' HE2' ' A' ' 65' ' ' MET . 0.1 OUTLIER -64.99 -7.29 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.28 -41.38 11.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -92.42 -7.31 47.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HG3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.31 -80.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 35' ' ' LEU . 22.9 m -123.56 -59.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.6 ' H ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -66.9 160.14 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.619 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -77.19 -53.05 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -168.66 96.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -170.3 127.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' HB2' HG23 ' A' ' 25' ' ' ILE . 1.2 pp0? -110.65 57.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 116.07 29.18 2.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.534 HG22 ' HE3' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.9 -28.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.743 ' O ' HD13 ' A' ' 46' ' ' LEU . 23.7 mt -64.04 -57.53 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.7 m -64.17 -12.85 44.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -85.94 -48.84 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.776 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.0 tm? -75.56 -20.0 58.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 42' ' ' LEU . 7.7 mp -80.3 0.33 33.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -35.9 -58.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.17 155.33 92.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.424 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.0 109.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -157.12 93.64 2.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.28 13.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.3 m0 63.58 38.97 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.719 ' H ' HG21 ' A' ' 9' ' ' THR . 1.2 t -65.37 -42.93 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 66.78 10.19 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.74 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 49.72 64.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -45.76 -45.3 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.0 87.58 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -71.29 -36.62 71.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 0.763 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -53.53 -35.89 61.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -55.9 -66.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -40.61 -39.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ARG . 2.1 ttt180 -66.96 -58.37 5.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' ARG . 70.3 mtt-85 -37.58 -40.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.669 ' HE2' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -65.79 -59.01 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 1.8 m0 -51.38 -26.99 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -69.02 -35.0 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.683 ' CE3' HD11 ' A' ' 20' ' ' LEU . 7.1 t90 -56.81 -43.51 81.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -85.09 -34.35 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 66' ' ' TRP . 5.0 tt0 -78.65 2.67 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 1.4 mm-40 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.422 ' CE1' ' CG ' ' A' ' 146' ' ' ASN . 6.6 t80 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.486 0.184 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 111' ' ' GLN . 2.5 m -110.57 147.59 33.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -75.48 -47.46 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 137' ' ' LEU . 77.1 t -55.89 -48.51 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.617 ' H ' HG22 ' A' ' 108' ' ' THR . 5.5 mm100 -61.62 -60.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -21.67 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.7 OUTLIER -75.46 -35.82 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.538 ' CG2' HG13 ' A' ' 133' ' ' ILE . 35.1 m -77.57 -53.12 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -55.48 -43.66 75.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.665 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 38.3 t60 -57.18 -41.77 79.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.35 -18.37 64.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.571 HG12 HD21 ' A' ' 129' ' ' LEU . 0.6 OUTLIER -73.68 -42.0 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -37.31 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -106.22 -39.65 5.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.539 ' CB ' HD12 ' A' ' 118' ' ' ILE . 0.9 OUTLIER -37.44 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 7.1 p-10 154.54 -20.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 129' ' ' LEU . 20.1 mtmt -83.91 17.44 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.628 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -52.6 -44.0 93.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.2 Cg_endo -75.03 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.602 ' C ' ' O ' ' A' ' 125' ' ' PRO . 19.3 m -21.38 94.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.716 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.3 OUTLIER -51.18 -25.02 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.81 -25.88 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -72.68 -55.58 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.997 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.6 OUTLIER -54.23 -32.0 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 127' ' ' LYS . 24.4 mt -83.98 -31.33 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 m -64.75 -46.78 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.644 HG21 ' HG ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.97 -56.7 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 133' ' ' ILE . 39.1 p -48.17 -34.87 10.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.03 -23.29 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -50.57 -55.27 16.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.518 HD12 ' OE1' ' A' ' 111' ' ' GLN . 1.5 mp -123.1 22.92 9.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -160.34 -130.62 1.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 176.76 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -84.21 164.8 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 144' ' ' VAL . 0.3 OUTLIER -89.09 0.27 56.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.41 -55.89 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 3.1 t -60.47 -48.01 83.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.875 ' HA ' HD12 ' A' ' 115' ' ' LEU . 79.3 t -40.87 -55.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -51.44 -41.73 61.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 143' ' ' THR . 34.9 t-20 -41.07 -50.68 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.839 ' HD2' HD13 ' A' ' 115' ' ' LEU . 2.4 t80 -91.29 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.449 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 1.7 m-30 -34.53 -34.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -87.0 -50.25 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.17 -45.34 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.708 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.97 -63.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.596 HG21 ' CE3' ' A' ' 66' ' ' TRP . 1.9 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.43 -171.1 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.539 HG23 ' HE2' ' A' ' 62' ' ' PHE . 1.2 m -102.36 -47.34 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HA ' HD23 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -96.77 -42.77 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -32.05 72.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.741 HG21 ' NE1' ' A' ' 66' ' ' TRP . 7.5 p -55.13 -55.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -47.23 -58.4 4.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.9 -21.49 63.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -73.14 -58.53 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 13' ' ' ALA . 3.1 mt -43.4 -33.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.6 m -69.3 -50.63 44.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -82.74 -2.65 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.68 -60.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.852 HD11 ' CE3' ' A' ' 68' ' ' TRP . 1.4 mp -56.89 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -85.65 -75.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.547 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 173.55 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.763 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER 177.42 35.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -162.42 61.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.06 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 39' ' ' GLN . 17.4 mm -58.83 120.46 46.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.01 85.1 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -29.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.29 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -78.69 -46.15 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 38' ' ' SER . 4.4 t80 -59.65 -13.3 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 35' ' ' LEU . . . -89.27 -54.39 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -79.81 1.15 27.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CG ' HG23 ' A' ' 29' ' ' ILE . 4.1 mmm180 -90.04 -67.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.758 HG23 ' CD1' ' A' ' 68' ' ' TRP . 21.8 t -114.49 -76.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -127.15 145.26 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -49.05 -42.11 37.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' O ' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.61 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.737 ' O ' HG22 ' A' ' 41' ' ' THR . 41.3 t -59.19 148.22 32.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.611 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -39.0 -42.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -41.46 -24.75 0.14 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 38' ' ' SER . 3.1 t -57.04 -35.42 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.851 HD11 ' HA ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -72.93 -58.31 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.3 p -65.67 -9.41 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' GLY . 4.2 m-20 -73.79 -53.9 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -78.52 -19.97 51.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.652 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -91.18 0.52 57.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' LEU . 9.3 ttt85 -33.74 -40.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -74.73 131.44 79.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 86.64 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -129.45 144.3 52.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.622 ' HB2' ' CE3' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 112.49 3.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.622 ' CE3' ' HB2' ' A' ' 51' ' ' PRO . 2.8 m-90 44.75 90.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 4.1 t -89.13 -40.4 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER 81.06 83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.671 HD12 ' HE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -38.38 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -65.45 -24.67 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -56.37 -48.77 76.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.809 ' O ' HG22 ' A' ' 61' ' ' THR . . . -177.55 107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -11.28 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.68 -56.24 11.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.809 HG22 ' O ' ' A' ' 58' ' ' GLY . 9.0 t -48.06 -34.55 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.851 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -58.68 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.532 ' HA ' ' CD2' ' A' ' 66' ' ' TRP . 8.8 ttt180 -60.48 -33.28 72.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.831 ' HB3' HD21 ' A' ' 35' ' ' LEU . 32.7 mmt180 -53.4 -63.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.148 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.764 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -45.9 -44.33 14.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.741 ' NE1' HG21 ' A' ' 12' ' ' VAL . 6.8 m0 -53.54 -31.44 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ARG . 5.5 mtpp -61.94 -45.69 92.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.852 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.8 t90 -45.17 -46.1 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.976 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.6 HD23 ' CD1' ' A' ' 20' ' ' LEU . 27.9 mt -52.88 -41.76 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -60.63 -42.43 96.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.409 ' CE1' ' ND2' ' A' ' 146' ' ' ASN . 66.2 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.554 0.216 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.793 ' H ' HG22 ' A' ' 143' ' ' THR . 11.3 m -113.23 160.59 18.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 7.8 p-10 -87.26 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 56.2 t -56.58 -38.17 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.549 ' HG2' HD12 ' A' ' 133' ' ' ILE . 5.6 tm0? -62.4 -59.52 4.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 1.9 tmm_? -58.66 -30.99 67.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -54.53 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.541 ' HB ' HD11 ' A' ' 133' ' ' ILE . 20.4 m -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.805 HD13 HG21 ' A' ' 133' ' ' ILE . 5.1 tp -51.14 -45.59 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.559 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 25.0 t60 -52.47 -27.73 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -82.9 -22.9 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.745 HD12 ' H ' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -67.81 -43.23 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.2 t80 -39.69 -28.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.14 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.427 ' HA ' ' NE ' ' A' ' 124' ' ' ARG . 25.3 tt0 179.6 105.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.517 ' HB2' HD13 ' A' ' 118' ' ' ILE . 1.2 m-20 -165.85 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.745 ' H ' HD12 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -142.71 41.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.668 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 16.7 mtm180 -58.83 -41.47 88.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.97 -49.87 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 125' ' ' PRO . 16.0 m -38.4 92.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.2 tmtp? -45.33 -39.52 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 131' ' ' ILE . 1.8 mm-40 -58.7 -51.3 70.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -44.51 -49.08 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 1.041 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -50.35 -37.82 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 128' ' ' GLU . 3.8 mt -84.41 -25.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.624 HG22 ' OE1' ' A' ' 136' ' ' GLN . 62.4 m -59.95 -48.95 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.805 HG21 HD13 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -68.6 -55.49 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.528 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.3 OUTLIER -49.95 -33.6 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.19 -25.4 27.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.624 ' OE1' HG22 ' A' ' 132' ' ' THR . 0.4 OUTLIER -75.82 -18.46 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.61 HD22 ' C ' ' A' ' 136' ' ' GLN . 2.5 mm? -138.59 22.78 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.574 ' O ' HD23 ' A' ' 139' ' ' LEU . . . 172.24 -117.36 0.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER 174.47 -34.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.97 160.01 28.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 141' ' ' LEU . 0.6 OUTLIER -88.17 1.54 54.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -57.06 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.793 HG22 ' H ' ' A' ' 108' ' ' THR . 18.0 p -51.37 -49.5 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.561 HG21 ' HG3' ' A' ' 130' ' ' GLN . 55.9 t -42.74 -48.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.85 -40.93 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 143' ' ' THR . 54.2 t-20 -43.64 -51.2 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 119' ' ' PHE . 0.8 OUTLIER -84.76 -66.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.538 ' CD1' HG13 ' A' ' 144' ' ' VAL . 4.5 m-85 -35.5 -33.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.486 ' HE2' ' HB3' ' A' ' 149' ' ' MET . 0.3 OUTLIER -90.45 -47.0 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.35 -43.92 98.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.551 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -81.23 -47.95 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.569 HG21 ' CE2' ' A' ' 66' ' ' TRP . 7.9 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER 80.84 169.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.5 ' C ' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -102.83 -37.24 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -100.46 -44.98 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 1.6 mt-10 -63.99 -21.5 66.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 13' ' ' ALA . 13.3 p -69.39 -57.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -48.39 -56.53 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -37.99 86.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 16.1 mtt-85 -56.13 -44.22 78.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.739 HG21 ' HG2' ' A' ' 65' ' ' MET . 4.5 mt -53.44 -62.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 23' ' ' TYR . 5.0 m -55.8 -55.41 32.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 22' ' ' ARG . 26.1 m -59.06 -20.33 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 2.1 tt0 -94.17 -17.12 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.764 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.6 mp -91.19 -93.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -89.41 -0.74 57.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 87.31 -26.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 163.79 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -174.63 61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.764 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.6 tp -81.81 138.85 46.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.4 Cg_endo -75.01 82.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.644 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.12 -30.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -59.5 -53.03 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -75.25 -49.12 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.3 t80 -58.27 -11.74 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -89.0 -43.71 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.93 0.49 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.442 ' CD ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -78.21 -68.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.39 -75.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -104.68 153.04 21.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.02 -50.26 74.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.649 ' CB ' HG21 ' A' ' 41' ' ' THR . 22.1 mtt180 -59.67 142.47 52.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 34.3 m -156.32 -179.08 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 73.48 40.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.28 34.46 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.649 HG21 ' CB ' ' A' ' 37' ' ' ARG . 2.1 t -48.07 -39.45 20.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.91 HD13 ' SD ' ' A' ' 65' ' ' MET . 0.9 OUTLIER -44.54 -43.04 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -38.32 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 6.5 t70 -61.07 -56.57 19.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.056 HD13 HD21 ' A' ' 55' ' ' LEU . 2.7 pp -63.77 -23.33 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.694 HD11 ' HE1' ' A' ' 62' ' ' PHE . 16.3 mt -80.58 2.77 24.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.1 tpt180 -29.38 -46.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -66.9 122.29 81.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -149.46 135.55 10.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.88 5.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 61.16 64.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.48 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 1.2 t -68.67 -44.57 73.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.596 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 46.91 32.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.056 HD21 HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER 39.12 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -19.86 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.7 m -113.34 36.78 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.33 60.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -39.28 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.27 -43.71 74.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.9 m -50.78 -62.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.969 ' CD1' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -40.45 -43.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.466 ' CG ' ' HE3' ' A' ' 67' ' ' LYS . 15.9 ttm180 -70.35 -55.0 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.537 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -37.83 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.91 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -73.39 -54.88 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 3.7 m0 -52.05 -24.46 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HE3' ' CG ' ' A' ' 63' ' ' ARG . 9.0 mmtt -66.87 -52.68 40.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CZ3' ' HG ' ' A' ' 20' ' ' LEU . 1.2 t90 -42.6 -52.77 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 20' ' ' LEU . 4.8 mt -41.66 -54.79 3.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -72.34 -74.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.494 ' CE2' ' ND2' ' A' ' 146' ' ' ASN . 4.6 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.521 0.201 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.594 ' HB ' HD13 ' A' ' 137' ' ' LEU . 16.9 m -114.01 165.99 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -84.67 -47.66 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.21 -53.48 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.941 ' CG ' HD22 ' A' ' 137' ' ' LEU . 0.7 OUTLIER -51.38 -60.77 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -45.89 -23.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.557 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 4.6 ttp180 -86.66 -33.5 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.568 HG21 HG12 ' A' ' 133' ' ' ILE . 49.7 m -68.11 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.789 HD13 HG21 ' A' ' 133' ' ' ILE . 7.0 tp -54.68 -44.26 73.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.629 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 75.0 t60 -56.94 -27.33 60.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -77.11 -20.23 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 124' ' ' ARG . 1.1 tp -75.81 -43.79 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 1.0 OUTLIER -37.71 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 118' ' ' ILE . 22.8 mmtt -59.3 -72.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 171.64 102.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.21 -53.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -164.86 36.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.519 ' HA ' HG23 ' A' ' 118' ' ' ILE . 4.4 mtp180 -36.52 -52.18 1.85 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.632 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.4 Cg_endo -74.98 -95.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 125' ' ' PRO . 1.9 m 18.4 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -45.51 -28.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.2 OUTLIER -68.79 -36.82 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 1.004 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -61.94 -57.83 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 1.004 ' N ' HD13 ' A' ' 129' ' ' LEU . 3.3 tt0 -45.96 -31.87 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 22.5 mm -90.54 -26.46 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 27.8 m -57.99 -35.79 71.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.858 HD11 ' HA ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -86.56 -54.32 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.496 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.8 OUTLIER -53.78 -31.41 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.519 ' CG ' ' O ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -83.83 -29.9 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -53.92 -42.7 69.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.941 HD22 ' CG ' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -92.9 -40.83 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 139' ' ' LEU . . . -152.98 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.439 ' HB3' ' O ' ' A' ' 138' ' ' GLY . 3.7 pp 178.53 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.84 147.59 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.0 pp -82.89 1.04 41.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -55.2 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.832 HG21 HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -55.76 -48.13 75.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.725 HG22 ' CD2' ' A' ' 115' ' ' LEU . 17.3 t -46.66 -51.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -48.44 -44.6 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.494 ' ND2' ' CE2' ' A' ' 107' ' ' PHE . 9.9 t-20 -43.79 -49.53 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . 0.711 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.7 t80 -88.53 -67.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.584 ' CD1' HG13 ' A' ' 144' ' ' VAL . 2.0 m-85 -34.53 -37.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.1 OUTLIER -78.61 -55.27 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -47.51 84.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.711 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -75.4 -70.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.668 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 3.5 mp -98.15 89.49 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.51 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -89.63 -168.83 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 3.0 m -101.34 -56.51 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -88.67 -31.73 18.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.82 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.584 ' O ' HD12 ' A' ' 16' ' ' ILE . 1.2 p -72.36 -41.21 65.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -65.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.89 -30.19 57.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.568 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.62 -60.23 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.72 ' O ' HD22 ' A' ' 20' ' ' LEU . 4.2 mt -38.05 -37.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 23' ' ' TYR . 18.1 m -67.84 -51.46 48.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' ARG . 23.8 m -82.8 0.76 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.43 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.858 ' HG2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -90.78 -48.83 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.793 HD23 HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -64.24 -82.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -88.07 -73.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 176.89 -33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 3.9 m-85 -179.04 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.72 66.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.793 HD13 HD23 ' A' ' 20' ' ' LEU . 1.1 tp -58.07 134.33 84.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.05 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 3.6 mp0 -39.38 -41.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -54.46 -63.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 79' ' ' ALA . 1.5 mp -57.07 -56.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.772 ' CD2' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -55.42 -15.61 2.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.783 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -91.24 -33.94 15.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -88.39 -3.78 58.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.644 ' NE ' ' CZ2' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -90.84 -77.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.8 -67.13 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.772 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -58.89 166.93 1.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.783 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -93.42 -47.51 6.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.15 99.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -171.11 132.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 3.0 tm0? -109.78 69.46 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 100.65 32.62 5.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.652 HG22 ' HE1' ' A' ' 65' ' ' MET . 0.1 OUTLIER -40.01 -27.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.643 ' CD1' HD13 ' A' ' 16' ' ' ILE . 30.9 mt -64.15 -54.76 28.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -62.3 -12.8 22.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 41' ' ' THR . 5.5 t70 -90.23 -46.84 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.944 HD12 ' HG ' ' A' ' 55' ' ' LEU . 2.3 tm? -71.69 -23.58 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -80.78 1.05 32.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 46' ' ' LEU . 4.1 tpp180 -36.43 -45.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.3 p-10 -78.4 151.96 78.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -153.52 102.47 2.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.59 15.59 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.2 m0 58.69 39.26 24.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.529 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -67.47 -14.01 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.971 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 30.72 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.944 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER 37.59 86.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -28.81 69.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.2 t -61.99 -68.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.18 86.68 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -38.04 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.44 -34.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.484 HG22 HD21 ' A' ' 42' ' ' LEU . 19.9 m -58.66 -64.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.749 ' CE2' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.32 -51.17 11.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' ARG . 5.0 ttm-85 -56.03 -58.8 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' ARG . 22.9 mmt180 -35.94 -38.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.652 ' HE1' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -72.67 -55.03 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.668 ' CZ3' HG21 ' A' ' 7' ' ' ILE . 5.3 m0 -51.78 -26.89 10.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -65.3 -53.24 46.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.644 ' CZ2' ' NE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -43.72 -56.87 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 108.013 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.858 HD13 ' HG2' ' A' ' 19' ' ' GLU . 3.5 mt -56.05 -45.04 79.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 71' ' ' GLU . 4.4 mm100 -61.05 -72.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER 59.24 151.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 74' ' ' PHE . 18.4 Cg_endo -74.98 49.61 2.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 72' ' ' PRO . 7.0 mt-10 34.76 35.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' PRO . 1.2 t80 177.65 68.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -168.19 49.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -98.88 26.55 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mtt -155.82 22.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -65.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 32' ' ' GLN . . . -79.07 131.64 36.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.28 125.6 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.496 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -108.5 151.22 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 81' ' ' ARG . 0.2 OUTLIER -179.06 -157.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.644 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -80.49 -177.66 6.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 83' ' ' ALA . . . 80.99 -176.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.6 t 55.88 71.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 108.23 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -173.12 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -57.42 -178.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.44 76.54 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.28 81.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -42.2 -62.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 70.3 -64.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 93' ' ' GLY . 25.1 m170 63.29 135.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.603 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' HIS . . . -56.28 -111.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 t0 174.74 160.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.48 159.66 14.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.21 -150.29 7.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -147.36 165.82 29.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 6.7 t -115.11 145.9 35.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 99' ' ' THR . 18.1 Cg_endo -75.01 -178.13 3.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.74 -178.4 3.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -56.81 141.53 74.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 102' ' ' LYS . 18.5 Cg_endo -74.91 175.35 11.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -170.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.68 98.2 6.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 107' ' ' PHE . 12.4 t -132.4 -73.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.654 ' CD1' ' ND2' ' A' ' 146' ' ' ASN . 0.1 OUTLIER 38.46 94.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.841 HG22 HG12 ' A' ' 110' ' ' VAL . 52.8 m -109.22 137.7 46.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.446 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.26 -59.08 3.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.841 HG12 HG22 ' A' ' 108' ' ' THR . 11.7 p -44.89 -36.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.9 ' OE1' HG21 ' A' ' 143' ' ' THR . 77.9 mt-30 -73.52 -57.96 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 6.4 ttp180 -51.01 -26.13 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -70.74 -46.12 63.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.525 ' CG2' HG12 ' A' ' 133' ' ' ILE . 32.8 m -61.08 -60.87 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 144' ' ' VAL . 4.6 tp -55.94 -43.26 77.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.551 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 2.7 t-80 -47.3 -34.86 7.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.609 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.72 -35.63 70.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -56.34 -29.12 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 2.4 t80 -49.29 -27.5 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -126.61 55.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.823 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -130.02 -90.05 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 121' ' ' GLU . 6.6 t-20 175.91 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.976 ' HB3' HD13 ' A' ' 129' ' ' LEU . 5.5 mttm -88.44 31.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.644 ' HA ' HG23 ' A' ' 118' ' ' ILE . 1.7 mtm105 -47.52 -49.19 56.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.03 -91.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 25.76 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 84' ' ' ALA . 0.4 OUTLIER -48.85 -25.71 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.36 -38.73 63.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.976 HD13 ' HB3' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -65.96 -56.43 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.784 ' N ' HD23 ' A' ' 129' ' ' LEU . 3.6 pt20 -46.33 -34.6 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 131' ' ' ILE . 16.1 mm -84.64 -27.59 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.6 m -62.87 -38.28 90.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -78.87 -50.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 139' ' ' LEU . 0.3 OUTLIER -56.62 -31.58 64.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.952 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.2 -14.49 33.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -61.63 -59.57 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.492 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.3 mp -116.47 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -142.96 -134.4 2.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.3 OUTLIER -171.92 -41.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.29 168.41 16.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 0.3 55.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.2 t -50.38 -55.21 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.9 HG21 ' OE1' ' A' ' 111' ' ' GLN . 60.8 p -49.4 -53.82 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.758 ' HA ' HD23 ' A' ' 115' ' ' LEU . 74.9 t -41.16 -49.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.35 -42.99 92.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.955 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 107' ' ' PHE . 4.8 t-20 -41.16 -47.99 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.609 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -87.54 -66.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.656 ' CE1' HG13 ' A' ' 144' ' ' VAL . 10.2 m-85 -36.76 -30.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.4 tmm? -84.84 -52.3 6.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -63.21 -46.71 85.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.596 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -79.15 -78.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.566 ' C ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 12' ' ' VAL . 1.6 mp -142.5 106.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.514 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 3.3 m120 -79.24 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 10' ' ' LYS . 11.1 t -100.58 -54.34 2.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.604 ' HG3' HD12 ' A' ' 46' ' ' LEU . 11.6 tttt -92.01 -30.24 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 0.9 OUTLIER -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.724 HG21 HG23 ' A' ' 7' ' ' ILE . 9.9 p -78.35 -39.27 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -56.18 -66.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -54.89 -29.13 55.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.573 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -67.78 -52.49 36.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.01 HD13 HD12 ' A' ' 42' ' ' LEU . 5.4 mt -41.68 -43.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -66.5 -52.47 45.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.4 m -73.95 -1.86 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 15' ' ' ARG . 2.6 mm-40 -91.06 -58.53 2.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.781 HD22 ' O ' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -53.34 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -90.81 -67.45 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 165.74 -30.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.7 m-85 176.11 36.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.73 53.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.644 HD13 HD23 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.14 138.9 91.38 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.98 80.45 2.43 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.609 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -46.14 -24.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -41.84 78.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -83.32 -50.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.531 ' CD1' HD11 ' A' ' 25' ' ' ILE . 22.8 t80 -58.14 -12.93 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.92 -43.27 10.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -90.77 1.48 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 78' ' ' SER . 0.0 OUTLIER -82.81 -70.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.743 HG13 ' H ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -123.43 -79.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.743 ' H ' HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -93.58 147.83 22.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.36 -43.96 96.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.896 ' HB3' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -59.55 147.58 36.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.273 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.527 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 m -160.84 -178.65 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 72.19 42.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 53.44 27.66 34.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.896 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -39.09 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.423 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.01 HD12 HD13 ' A' ' 16' ' ' ILE . 39.0 mt -49.28 -42.55 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 1.1 t -66.92 -24.4 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.0 t70 -80.3 -55.76 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.974 HD13 HD11 ' A' ' 55' ' ' LEU . 1.1 pp -65.01 -17.66 64.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.71 -5.61 38.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -33.27 -38.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' LEU . 44.6 t30 -69.89 122.44 86.0 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.31 2.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.439 1.758 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.67 122.28 1.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 127.77 10.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 10.0 m0 57.19 39.42 28.84 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -49.53 -54.59 17.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 74.58 30.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.974 HD11 HD13 ' A' ' 45' ' ' LEU . 2.4 mm? 39.69 64.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -41.25 -46.02 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 m -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -149.11 74.93 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' GLY . 4.4 tmm_? -38.88 -31.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.6 OUTLIER -47.77 -35.55 10.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 m -58.74 -63.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.878 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.6 -47.9 14.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -60.5 -56.68 18.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.642 ' HB2' HD23 ' A' ' 35' ' ' LEU . 1.1 mtp85 -38.64 -39.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.818 ' HG3' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -72.78 -49.35 31.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.567 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 8.8 m0 -58.25 -27.49 64.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -63.57 -51.98 62.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.613 ' HZ2' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -45.51 -60.43 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.034 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 69' ' ' LEU . 2.9 mt -39.36 -45.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -82.3 -86.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER 60.32 143.89 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -75.0 53.42 3.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER 175.52 128.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -41.18 -66.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' NE2' ' CH2' ' A' ' 68' ' ' TRP . 3.0 tp60 -177.72 36.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -138.29 51.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -40.29 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 33' ' ' ARG . 20.2 m -145.48 -69.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.613 ' HB2' ' HZ2' ' A' ' 68' ' ' TRP . . . -39.01 144.19 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tt -160.02 127.75 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.93 150.0 46.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 84' ' ' ALA . 2.1 tt -176.36 142.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.77 102.1 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.625 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -159.81 -168.42 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.9 m 65.99 -77.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER 65.11 100.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.28 137.47 41.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -74.56 -61.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -73.54 149.82 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.1 -69.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 55.53 99.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.8 179.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.03 -169.17 1.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 95' ' ' ASP . 5.2 ttpt -40.96 144.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 11.3 t70 -160.13 168.99 24.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -156.3 171.31 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 168.08 158.58 12.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.045 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 175.42 166.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.323 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.751 HG23 ' HD2' ' A' ' 100' ' ' PRO . 2.5 m -161.37 146.56 10.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.431 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.751 ' HD2' HG23 ' A' ' 99' ' ' THR . 18.4 Cg_endo -75.02 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.11 164.21 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.93 133.99 19.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -177.46 3.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.53 -169.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' C ' HG12 ' A' ' 106' ' ' VAL . 6.4 tp -147.87 117.91 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.822 HG22 ' N ' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -173.37 -90.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.822 ' N ' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER 52.43 123.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.781 HG22 HG12 ' A' ' 110' ' ' VAL . 1.2 m -110.26 149.39 30.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -26.13 20.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.781 HG12 HG22 ' A' ' 108' ' ' THR . 7.5 p -75.84 -42.55 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.792 ' O ' HD11 ' A' ' 133' ' ' ILE . 51.9 mt-30 -71.82 -56.35 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -51.37 -29.94 17.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 112' ' ' ARG . 8.3 ttt-85 -66.2 -42.34 88.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.531 ' HB ' HD11 ' A' ' 133' ' ' ILE . 25.4 m -65.25 -58.86 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.89 ' CD2' HG22 ' A' ' 144' ' ' VAL . 6.1 tp -58.22 -43.86 87.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.585 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 43.0 t60 -45.54 -39.94 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.593 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.73 -35.88 79.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -56.79 -25.98 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.546 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 5.8 t80 -50.75 -19.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.41 62.64 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.742 ' CB ' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -134.76 -75.58 0.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 163.08 -28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.869 ' HB3' HD13 ' A' ' 129' ' ' LEU . 8.0 mttp -92.25 28.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 12.0 mtm180 -46.14 -49.28 41.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.02 -91.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.541 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.9 m 27.98 80.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -39.69 -37.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.92 -58.02 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.947 HD11 HG13 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -41.13 -56.32 2.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.661 ' CG ' ' CZ ' ' A' ' 148' ' ' PHE . 10.4 mt-30 -43.39 -44.41 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.08 -26.24 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 129' ' ' LEU . 22.5 m -61.46 -49.71 75.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.792 HD11 ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -65.42 -52.17 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -52.97 -59.02 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -12.44 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.851 ' HB3' HD22 ' A' ' 137' ' ' LEU . 1.4 tt0 -64.72 -60.55 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.6 OUTLIER -112.93 12.77 19.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -156.18 -138.2 2.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -176.65 35.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 134' ' ' SER . 0.1 OUTLIER -160.05 152.19 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.89 -3.49 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.719 ' HB2' HG13 ' A' ' 106' ' ' VAL . 83.4 p -39.46 -50.95 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.675 HG21 ' HB3' ' A' ' 111' ' ' GLN . 4.3 t -70.3 -51.09 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.89 HG22 ' CD2' ' A' ' 115' ' ' LEU . 28.9 t -39.54 -49.09 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.74 -44.54 96.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 143' ' ' THR . 4.8 t30 -43.99 -45.92 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.595 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -84.99 -71.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.661 ' CZ ' ' CG ' ' A' ' 130' ' ' GLN . 9.6 m-85 -36.76 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -88.68 -44.28 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 147' ' ' PHE . 26.1 t30 -69.64 -49.43 53.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.591 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -75.57 -60.75 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.82 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.0 tp -91.82 21.7 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 59.96 106.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.681 HG23 ' HZ ' ' A' ' 62' ' ' PHE . 1.4 m -65.15 -59.77 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -41.26 74.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' CB ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -76.87 -21.22 55.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.975 HG11 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -67.79 -66.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.656 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -45.87 -49.61 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.82 -29.06 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.602 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -66.76 -59.32 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.912 HG21 ' SD ' ' A' ' 65' ' ' MET . 3.1 mt -57.03 -17.08 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.4 m -82.94 -49.65 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 m -90.23 -4.72 57.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 15' ' ' ARG . 6.4 mm-40 -91.36 -47.15 7.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.826 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.4 mp -63.23 -89.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 16.0 tttp -89.82 -57.39 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER 163.45 -27.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.886 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER 174.3 36.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 162.87 75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.826 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -70.52 140.7 87.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.519 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.98 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.607 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 6.9 mp0 -43.03 -26.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -60.84 -44.24 97.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -75.19 -50.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE1' ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -63.62 -9.81 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.68 -34.43 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -92.61 -14.88 27.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' NE ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -77.12 -84.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 35' ' ' LEU . 4.5 m -123.29 -52.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.681 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 22.9 mt -71.79 172.42 9.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.574 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 17.3 p -100.94 -35.8 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.72 89.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 1.2 m -162.79 142.18 9.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.561 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.0 pt20 -130.01 76.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.85 23.03 70.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -42.35 -39.8 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.914 HD23 ' CG1' ' A' ' 12' ' ' VAL . 2.6 tp -36.36 -40.25 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.646 ' CB ' ' HB1' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -70.5 -52.7 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' THR . 1.1 t70 -50.49 -55.93 13.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.839 HD13 HD21 ' A' ' 55' ' ' LEU . 4.4 pp -62.76 -22.71 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.693 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 20.7 mt -87.64 1.5 53.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -35.52 -41.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' LEU . 2.0 p-10 -75.29 142.65 75.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.7 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.35 104.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.31 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.8 m0 61.92 51.32 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' LYS . 22.6 t -89.46 -41.83 11.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 38.24 39.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 45' ' ' LEU . 17.6 mt 39.77 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -75.43 -30.83 60.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.2 m -60.46 -52.61 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -140.6 81.02 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -24.12 48.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.78 -37.73 68.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 m -58.67 -64.38 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.975 ' CE2' HG11 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -44.19 -36.81 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 66' ' ' TRP . 6.4 mtp180 -64.42 -52.1 59.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.546 ' HB3' HD21 ' A' ' 35' ' ' LEU . 77.5 mtt-85 -42.08 -39.03 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.912 ' SD ' HG21 ' A' ' 16' ' ' ILE . 5.0 mmt -65.0 -61.0 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 63' ' ' ARG . 1.9 m0 -42.85 -42.05 3.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' GLU . 3.1 mttt -47.11 -60.55 2.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.2 t90 -44.41 -57.49 3.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.643 HD21 HG23 ' A' ' 16' ' ' ILE . 5.0 mt -44.2 -44.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -77.44 -76.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' OE2' ' NE ' ' A' ' 33' ' ' ARG . 81.8 tt0 71.98 132.59 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -75.0 52.23 3.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 72' ' ' PRO . 7.7 mp0 59.95 130.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.401 ' CB ' ' OE2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER 179.3 -57.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 16.3 pt20 -135.78 -48.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' N ' ' CG ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER 35.7 49.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.459 ' HB3' ' CB ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -150.02 38.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . 89.2 p 54.12 81.25 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.94 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' SER . . . 39.46 80.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 77' ' ' MET . 0.6 OUTLIER -115.73 56.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -138.83 140.57 38.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.666 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 3.2 mm? -47.09 165.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . 81.92 151.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.98 179.15 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.04 173.8 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.336 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 103.77 8.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -77.94 155.96 30.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -174.57 137.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.23 130.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.8 121.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -138.98 77.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -175.26 80.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.6 -167.11 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt 63.43 135.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.02 132.09 34.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.42 -61.01 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.74 -172.04 22.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -137.41 153.84 50.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.694 HG23 ' HD2' ' A' ' 100' ' ' PRO . 3.7 m -114.42 145.8 34.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.694 ' HD2' HG23 ' A' ' 99' ' ' THR . 18.3 Cg_endo -75.02 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -146.76 162.89 37.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' LYS . 18.6 tttm -39.56 99.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -74.98 72.13 4.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.45 174.7 5.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.34 104.81 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.662 HG23 HG23 ' A' ' 143' ' ' THR . 9.9 m -97.39 -42.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 106' ' ' VAL . 0.3 OUTLIER 36.08 89.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.967 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.781 HG21 ' OE1' ' A' ' 111' ' ' GLN . 39.3 m -111.48 141.35 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 -27.93 34.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.427 ' H ' HG22 ' A' ' 108' ' ' THR . 40.5 t -69.41 -42.72 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.781 ' OE1' HG21 ' A' ' 108' ' ' THR . 0.8 OUTLIER -73.0 -58.12 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -46.25 -26.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -75.05 -43.37 53.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.52 ' HB ' HD11 ' A' ' 133' ' ' ILE . 63.2 m -64.13 -59.46 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.428 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.85 HD13 HG21 ' A' ' 133' ' ' ILE . 5.0 tp -56.49 -45.53 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 9.8 t-80 -45.32 -39.0 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.14 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.98 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -60.87 -18.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.557 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 8.1 t80 -53.14 -19.06 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.78 68.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.864 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.6 OUTLIER -135.38 -79.87 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 176.59 -33.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.948 ' HB3' HD13 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -89.45 23.21 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.513 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 1.9 mtm180 -35.42 -55.48 1.1 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.614 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -74.93 -91.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.6 m 30.59 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.919 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -50.58 -29.3 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.96 -27.27 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.98 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -75.11 -50.12 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.545 ' N ' HD23 ' A' ' 129' ' ' LEU . 2.2 pt20 -52.91 -32.69 46.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.919 HD12 ' O ' ' A' ' 127' ' ' LYS . 7.0 mt -85.4 -22.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 129' ' ' LEU . 6.9 m -68.56 -47.0 67.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.85 HG21 HD13 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.33 -47.41 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 139' ' ' LEU . 0.8 OUTLIER -62.85 -36.16 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.441 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 1.0 OUTLIER -82.49 -10.83 58.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.429 HE21 HD11 ' A' ' 137' ' ' LEU . 34.8 tt0 -73.72 -50.56 20.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.429 HD11 HE21 ' A' ' 136' ' ' GLN . 0.7 OUTLIER -127.02 31.02 5.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -165.12 -120.52 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.8 OUTLIER 168.46 -37.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.4 ' HG2' HD12 ' A' ' 139' ' ' LEU . 23.2 mm-40 -81.04 172.27 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -94.81 0.47 54.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.539 ' CB ' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -53.25 -60.04 3.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.663 HG21 ' NE2' ' A' ' 111' ' ' GLN . 56.0 p -44.83 -54.08 6.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' A' ' 115' ' ' LEU . 77.8 t -40.87 -48.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.1 OUTLIER -59.9 -43.02 95.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 34.1 t-20 -40.13 -46.24 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.62 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.08 -66.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.62 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 9.9 m-85 -36.71 -30.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 147' ' ' PHE . 10.0 tmm? -85.16 -52.54 5.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.47 -46.57 87.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.586 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -80.14 -65.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.623 ' C ' HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.623 HD12 ' C ' ' A' ' 6' ' ' GLU . 1.4 mp -156.5 -62.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER 81.65 169.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.468 HG21 ' N ' ' A' ' 52' ' ' TRP . 4.7 t -102.01 -37.59 8.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -42.55 6.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -26.87 68.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG21 ' HE1' ' A' ' 66' ' ' TRP . 10.1 p -65.18 -59.25 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -43.12 -49.28 6.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -53.93 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -46.27 -43.62 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.591 HD11 HG22 ' A' ' 12' ' ' VAL . 7.2 mt -54.51 -44.26 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.7 m -73.01 -54.59 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 85.0 m -61.3 -20.73 63.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.616 ' OE1' HD13 ' A' ' 69' ' ' LEU . 21.6 tt0 -89.17 -50.54 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.772 ' HB3' HD13 ' A' ' 25' ' ' ILE . 4.1 mp -56.12 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -62.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 167.87 -27.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.28 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.765 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER 175.27 36.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER 163.99 76.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.772 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -66.29 140.21 96.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.642 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.2 Cg_endo -75.04 92.57 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.89 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -51.42 -51.74 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.576 HG23 ' CB ' ' A' ' 79' ' ' ALA . 1.5 mp -75.34 -51.39 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.73 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -51.14 -18.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.809 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -91.12 -35.86 14.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -84.54 -5.85 59.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -91.44 -77.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.31 -61.37 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 30' ' ' PHE . 27.0 mt -58.66 172.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.809 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -100.2 -43.0 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.262 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -170.26 94.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.488 ' OG ' HD13 ' A' ' 35' ' ' LEU . 4.6 p -170.96 136.19 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.47 ' OE1' ' N ' ' A' ' 39' ' ' GLN . 14.9 pm0 -115.59 59.34 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.6 35.43 4.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.486 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -48.51 -27.46 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.409 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.846 HD21 ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -56.4 -53.75 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.563 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -66.14 -43.47 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 21.2 t70 -53.82 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 55' ' ' LEU . 4.1 pp -61.39 -26.16 67.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.781 HD11 ' HE1' ' A' ' 62' ' ' PHE . 28.4 mt -84.63 2.39 41.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 11.9 ptt180 -37.55 -30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.7 p-10 -89.13 145.75 34.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 119.73 5.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -155.73 105.62 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.57 13.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.468 ' N ' HG21 ' A' ' 9' ' ' THR . 9.9 m0 51.11 64.05 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 108.018 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -89.71 -44.54 9.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.39 43.22 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.798 HD21 HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER 43.77 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -39.21 78.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -60.19 3.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.68 99.77 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.69 -31.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -45.88 -41.41 11.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.542 HG22 HD12 ' A' ' 42' ' ' LEU . 3.5 m -58.3 -60.0 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.378 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.846 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -42.21 -30.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 0.0 110.95 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -46.38 28.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HB3' HD21 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.87 -33.1 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.755 ' HG2' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -73.11 -58.12 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.66 ' HE1' HG21 ' A' ' 12' ' ' VAL . 3.2 m0 -51.06 -27.77 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.8 mmmt -60.28 -58.96 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 1.4 t90 -47.95 -51.32 24.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.616 HD13 ' OE1' ' A' ' 19' ' ' GLU . 1.7 mt -51.37 -48.27 62.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -49.84 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -40.83 161.58 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.09 81.54 2.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.559 ' O ' ' CG ' ' A' ' 74' ' ' PHE . 6.2 tm-20 -65.04 78.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 9.4 m-85 -176.03 -35.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 74' ' ' PHE . 8.3 pt20 -34.27 -51.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 78' ' ' SER . 4.3 mtt85 -153.03 31.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.33 -59.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 76' ' ' ARG . 69.8 p -137.18 79.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.971 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.576 ' CB ' HG23 ' A' ' 29' ' ' ILE . . . 54.91 176.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.86 92.83 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 175.77 160.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.617 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -151.53 170.54 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.684 ' HB1' ' HB2' ' A' ' 127' ' ' LYS . . . 168.91 -64.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' ALA . . . 173.24 -61.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.1 m 64.59 87.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 108.275 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.88 157.27 16.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 70.47 111.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.31 147.19 46.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.05 158.53 35.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -113.02 85.28 2.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.59 62.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 64.27 139.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.567 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.444 ' N ' ' OD2' ' A' ' 44' ' ' ASP . . . -62.82 -96.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 117.25 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.24 149.7 10.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.54 105.54 15.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.66 158.58 29.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -143.32 169.87 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 3.5 t -135.0 147.04 61.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 110.366 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 99' ' ' THR . 18.2 Cg_endo -75.06 -171.14 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -145.86 165.56 28.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.68 110.72 6.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 107.58 2.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -94.14 -178.71 4.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.95 101.41 7.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.527 HG12 HG22 ' A' ' 143' ' ' THR . 95.7 t -122.91 -85.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 106' ' ' VAL . 24.0 m-85 50.31 103.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' A' ' 111' ' ' GLN . 2.5 m -114.88 157.04 23.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -79.08 -52.3 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.618 HG12 ' HG ' ' A' ' 137' ' ' LEU . 86.7 t -60.75 -43.61 95.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.831 ' O ' HD11 ' A' ' 133' ' ' ILE . 11.3 tm0? -59.34 -61.08 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.1 OUTLIER -58.77 -24.08 61.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -71.8 -34.23 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.583 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 51.9 m -73.77 -58.9 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.01 HD13 HG21 ' A' ' 133' ' ' ILE . 2.2 tp -56.81 -39.46 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.579 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 65.1 t60 -58.74 -33.57 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.39 -20.59 36.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.615 HG22 ' HG3' ' A' ' 124' ' ' ARG . 1.8 mm -67.27 -51.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.582 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 4.8 t80 -36.88 -34.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 21.5 mmtt -55.58 -65.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.2 OUTLIER 165.6 106.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -162.76 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.456 ' H ' HD12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -140.41 22.42 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.615 ' HG3' HG22 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -47.87 -48.94 60.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.05 66.23 6.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.4 m -167.64 106.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.684 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -57.25 -36.68 71.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.81 -42.45 94.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.853 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -53.82 -52.25 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.853 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.5 OUTLIER -46.12 -42.94 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 127' ' ' LYS . 3.8 mt -80.03 -24.0 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' LEU . 63.1 m -66.77 -46.08 76.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 1.01 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -67.36 -36.39 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 138' ' ' GLY . 7.9 p -69.74 -39.77 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.419 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 4.6 tm0? -82.38 -11.52 58.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.46 ' OE1' ' CD2' ' A' ' 137' ' ' LEU . 10.5 tt0 -83.23 -28.98 28.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.618 ' HG ' HG12 ' A' ' 110' ' ' VAL . 2.2 mm? -127.59 7.1 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -170.29 -119.36 0.5 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.505 HD12 ' OE1' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -179.85 -40.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.505 ' OE1' HD12 ' A' ' 139' ' ' LEU . 0.5 OUTLIER -77.34 152.54 34.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 0.17 32.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.405 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.5 OUTLIER -52.33 -52.1 55.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.527 HG22 HG12 ' A' ' 106' ' ' VAL . 44.3 p -57.3 -51.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.746 HG11 ' CG ' ' A' ' 130' ' ' GLN . 65.4 t -40.08 -48.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 146' ' ' ASN . 0.3 OUTLIER -57.87 -46.63 84.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 143' ' ' THR . 21.0 t-20 -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.642 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -89.12 -72.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.64 ' CD1' HG13 ' A' ' 144' ' ' VAL . 7.5 m-85 -30.46 -40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -78.03 -51.86 9.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 147' ' ' PHE . 31.6 t30 -62.37 -46.52 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.642 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -64.43 -65.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 148' ' ' PHE . 17.0 ttt-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.889 HG23 HG21 ' A' ' 12' ' ' VAL . 3.0 mp 55.13 101.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -169.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 10' ' ' LYS . 10.1 t -100.29 -55.02 2.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.533 ' N ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -96.93 -24.71 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -76.38 -25.27 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.889 HG21 HG23 ' A' ' 7' ' ' ILE . 7.2 p -78.0 -54.6 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.566 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -44.36 -54.11 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -48.8 80.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -50.89 -42.09 58.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.946 HG21 ' SD ' ' A' ' 65' ' ' MET . 4.4 mt -53.64 -44.02 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 23' ' ' TYR . 16.3 m -74.52 -54.08 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.32 -22.27 60.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 5.3 mm-40 -90.52 -45.47 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.808 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.6 mp -53.29 -88.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -86.74 -57.77 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 5.6 ptm180 163.71 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 172.51 37.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.7 m 162.79 75.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.808 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -68.97 140.66 91.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.577 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.01 97.02 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -37.91 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -55.35 -51.41 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.5 HG13 ' HB1' ' A' ' 79' ' ' ALA . 2.1 mp -71.63 -42.49 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.747 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -66.22 -6.67 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -90.73 -45.44 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 78' ' ' SER . 11.0 tp60 -90.77 0.05 57.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' NH1' ' CZ2' ' A' ' 68' ' ' TRP . 18.7 mmm-85 -90.43 -76.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.886 HG13 ' H ' ' A' ' 35' ' ' LEU . 2.1 p -125.4 -73.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.886 ' H ' HG13 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -59.63 162.37 5.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 85.5 m -70.05 -52.43 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.61 99.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.4 ' HB2' ' HB ' ' A' ' 41' ' ' THR . 1.0 OUTLIER -170.74 149.61 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.27 72.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 38' ' ' SER . 0.7 OUTLIER -45.22 -37.07 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.407 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 61' ' ' THR . 0.2 OUTLIER -42.07 -54.07 3.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.47 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -60.57 -40.87 93.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.12 -59.08 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 55' ' ' LEU . 4.3 pp -61.6 -24.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.693 HD11 ' CE1' ' A' ' 62' ' ' PHE . 1.9 mt -81.38 0.66 36.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' LEU . 13.3 ttm180 -36.58 -44.53 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.03 143.14 83.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' O ' HG21 ' A' ' 9' ' ' THR . 4.9 mmtt -144.99 107.26 4.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.14 15.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.9 m0 47.57 49.41 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -46.34 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 66.96 37.01 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.821 HD12 ' HD1' ' A' ' 62' ' ' PHE . 1.2 mt 37.38 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -34.41 71.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 m -96.9 58.05 1.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.51 47.24 0.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -50.55 -30.61 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.31 -39.28 69.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.904 HG22 HD12 ' A' ' 42' ' ' LEU . 3.3 m -56.18 -62.85 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.863 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -39.63 -44.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 9.4 ttm180 -68.89 -50.59 48.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.475 ' HB3' HD11 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.34 -55.87 4.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.946 ' SD ' HG21 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -50.69 -50.89 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.783 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 17.7 m0 -48.89 -37.96 21.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -51.09 -52.42 43.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CZ2' ' NH1' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -45.71 -50.88 13.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 107.975 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 16' ' ' ILE . 12.3 mt -68.58 -29.77 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.526 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -74.95 1.88 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.567 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -129.62 55.91 21.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -75.04 -34.01 4.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -59.18 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.409 ' C ' ' N ' ' A' ' 76' ' ' ARG . 4.4 m-85 -37.42 -51.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.78 27.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' N ' ' C ' ' A' ' 74' ' ' PHE . 3.7 mtt180 -174.64 53.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.79 -19.16 59.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -169.23 -63.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.5 ' HB1' HG13 ' A' ' 29' ' ' ILE . . . 39.53 79.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.35 88.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.65 132.19 40.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mp -141.23 153.78 45.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.76 108.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -174.04 162.26 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 128.03 14.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 108.301 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.89 156.3 39.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -104.38 122.86 46.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -108.47 128.64 54.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.11 83.6 2.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.35 169.12 11.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -111.74 -64.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -174.58 153.18 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.591 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 47.58 -175.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.08 124.49 22.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 0.76 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -121.99 -66.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.67 -63.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.64 -166.75 12.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -174.39 168.81 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 99' ' ' THR . 5.2 t -171.62 107.89 0.38 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.21 6.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.83 178.07 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.38 96.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.94 41.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.01 168.96 2.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.57 103.57 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 107' ' ' PHE . 2.7 t -123.22 -72.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.499 ' N ' HG12 ' A' ' 106' ' ' VAL . 67.4 m-85 36.79 92.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.9 m -106.38 156.47 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.0 p-10 -78.11 -51.75 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.455 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 38.2 t -55.17 -50.14 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.607 ' O ' HD11 ' A' ' 133' ' ' ILE . 44.8 mt-30 -59.47 -61.55 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.4 ttt180 -52.95 -25.57 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -72.27 -33.25 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.515 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 36.5 m -71.83 -60.04 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.465 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.765 HD13 HG21 ' A' ' 133' ' ' ILE . 4.0 tp -57.74 -43.42 85.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.607 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 4.8 t60 -50.86 -39.05 52.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.16 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.991 HG12 HD11 ' A' ' 129' ' ' LEU . 0.7 OUTLIER -68.58 -35.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.577 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 1.1 t80 -48.21 -30.71 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -77.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 178.45 102.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -154.16 -70.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.939 ' HB3' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -145.96 23.3 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.532 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -31.4 -56.57 0.41 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.02 66.79 6.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 51.4 m -155.22 98.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.817 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -63.36 -26.3 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -72.27 -43.52 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.991 HD11 HG12 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.44 -53.03 62.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.736 ' N ' HD23 ' A' ' 129' ' ' LEU . 2.4 pt20 -45.8 -40.29 9.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.817 HD12 ' O ' ' A' ' 127' ' ' LYS . 4.5 mt -80.23 -27.01 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.461 HG22 ' NE2' ' A' ' 136' ' ' GLN . 86.6 m -67.96 -38.28 82.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.765 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.73 -42.26 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.48 ' HB2' ' CG2' ' A' ' 143' ' ' THR . 0.0 OUTLIER -64.55 -48.62 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -74.27 -19.24 60.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.461 ' NE2' HG22 ' A' ' 132' ' ' THR . 5.5 mt-30 -61.12 -56.39 21.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -111.33 13.68 21.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -156.85 -139.64 2.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 139' ' ' LEU . 0.4 OUTLIER -175.59 35.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 134' ' ' SER . 8.9 tp10 -157.46 148.33 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.62 -0.27 22.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.453 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.4 OUTLIER -50.25 -51.21 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 134' ' ' SER . 3.1 t -64.24 -46.07 85.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 130' ' ' GLN . 69.6 t -42.38 -47.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -64.92 -38.29 90.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 143' ' ' THR . 20.2 t-20 -42.02 -45.53 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.607 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -89.65 -64.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.489 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 5.5 m-85 -38.33 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 147' ' ' PHE . 11.2 tmm? -85.47 -54.27 4.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -42.38 99.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.598 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -83.36 -60.82 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.401 ' CA ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.603 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 7.1 tp -98.08 24.23 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 22.5 m-80 66.07 138.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.573 HG21 ' HA ' ' A' ' 52' ' ' TRP . 1.0 OUTLIER -100.91 -42.18 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.4 -33.95 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -72.04 -21.92 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.748 HG21 ' NE1' ' A' ' 66' ' ' TRP . 9.9 p -75.86 -49.59 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB1' ' N ' ' A' ' 43' ' ' SER . . . -53.12 -64.18 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -54.8 -25.7 29.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.575 ' O ' ' N ' ' A' ' 19' ' ' GLU . 3.4 mtp180 -71.91 -60.48 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.785 HG21 ' SD ' ' A' ' 65' ' ' MET . 5.9 mt -38.72 -32.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 15' ' ' ARG . 18.5 m -72.68 -50.92 21.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' ARG . 18.4 m -84.09 0.41 48.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.575 ' N ' ' O ' ' A' ' 15' ' ' ARG . 3.4 mm-40 -91.72 -58.05 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.132 HD23 HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -57.21 -83.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 9.7 tttp -85.02 -68.71 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 163.04 -29.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.5 m-85 178.41 35.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -174.56 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.132 HD13 HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.28 125.23 74.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.799 ' HG2' HD12 ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.05 87.9 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.76 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -62.62 -53.11 59.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.799 HD12 ' HG2' ' A' ' 26' ' ' PRO . 47.2 mt -58.18 -54.59 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CG ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -61.96 -12.87 20.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -89.61 -35.62 15.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -91.73 -6.14 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -90.07 -81.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -121.77 -63.02 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.58 HD12 ' CG ' ' A' ' 30' ' ' PHE . 25.4 mt -59.34 167.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 14.3 t -90.22 -49.7 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.19 100.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 p -170.3 126.04 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.643 ' HB2' HG23 ' A' ' 25' ' ' ILE . 12.1 pt20 -106.74 52.18 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 118.2 31.65 1.52 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.581 1.176 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.643 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.1 -28.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.383 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.75 HD12 ' CD1' ' A' ' 16' ' ' ILE . 8.6 mt -62.9 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 3.2 m -53.69 -34.65 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 41' ' ' THR . 35.5 t0 -55.2 -60.14 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -20.75 63.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' ASN . 5.3 mp -90.77 2.99 55.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.59 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' LEU . 16.5 p30 -75.18 129.18 83.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 89.39 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -146.86 128.77 7.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.573 ' HA ' HG21 ' A' ' 9' ' ' THR . 1.4 m-90 80.33 59.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.52 ' H ' HG21 ' A' ' 9' ' ' THR . 12.5 t -45.6 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.53 36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.577 ' HG ' ' CE1' ' A' ' 62' ' ' PHE . 1.8 mm? -89.67 43.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -100.06 -52.41 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -49.53 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.71 46.31 1.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' THR . 0.3 OUTLIER -60.36 -14.33 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -35.89 -35.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 62' ' ' PHE . 8.4 t -77.4 -53.82 7.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.67 ' HD1' HD22 ' A' ' 42' ' ' LEU . 1.2 m-30 -53.07 -38.81 62.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.163 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -71.72 -56.41 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -47.18 -30.35 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.785 ' SD ' HG21 ' A' ' 16' ' ' ILE . 1.3 mmt -73.57 -56.52 4.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.748 ' NE1' HG21 ' A' ' 12' ' ' VAL . 2.5 m0 -57.3 -23.82 51.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -52.59 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.706 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -48.56 -57.24 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.988 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 69' ' ' LEU . 3.6 mt -47.79 -47.77 30.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.2 -72.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER 65.03 136.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.2 Cg_endo -74.99 46.02 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 72' ' ' PRO . 5.8 pt-20 32.88 38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' PRO . 2.7 t80 -176.59 111.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.415 ' HG3' ' NH2' ' A' ' 33' ' ' ARG . 1.1 tm0? -177.11 -74.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER 176.85 -34.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.401 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 2.3 tmm? 74.95 -58.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 80' ' ' LEU . 84.1 p -112.75 65.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.38 72.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' SER . 10.5 tp -43.17 139.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.01 97.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.07 138.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.38 98.08 5.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -144.89 166.57 24.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 t -136.64 -71.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 tttp 65.97 144.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -167.68 71.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.84 65.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -163.57 -71.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.522 ' NE2' ' H ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -156.56 151.16 25.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.522 ' H ' ' NE2' ' A' ' 90' ' ' GLN . 0.0 OUTLIER -133.87 152.65 51.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.86 86.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.63 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 43.78 -166.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 65.26 163.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -137.93 171.15 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -167.76 118.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.08 159.51 18.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -151.56 173.36 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.9 m -156.47 86.68 2.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.93 5.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 156.82 37.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 145.66 13.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.46 172.0 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.67 97.54 5.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.695 HG12 ' N ' ' A' ' 107' ' ' PHE . 2.9 t -106.06 -82.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.695 ' N ' HG12 ' A' ' 106' ' ' VAL . 7.1 m-85 45.11 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.415 ' CB ' ' OE1' ' A' ' 111' ' ' GLN . 8.1 m -110.4 165.88 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.374 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 6.4 p-10 -84.12 -51.99 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.447 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 73.2 t -56.75 -48.29 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.608 ' O ' HD11 ' A' ' 133' ' ' ILE . 25.1 mt-30 -58.56 -62.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.4 OUTLIER -54.33 -20.65 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -72.43 -41.86 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.66 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 12.0 m -65.3 -58.96 4.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.78 ' O ' HG22 ' A' ' 118' ' ' ILE . 2.5 tp -56.22 -52.56 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.525 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 73.4 t60 -49.62 -26.04 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -72.52 -35.17 68.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.78 HG22 ' O ' ' A' ' 115' ' ' LEU . 5.1 tp -77.24 -20.61 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.772 ' CE2' ' HB1' ' A' ' 151' ' ' ALA . 1.5 t80 -36.54 -40.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 57.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.696 ' HB3' HD12 ' A' ' 118' ' ' ILE . 7.9 tp10 -123.0 -85.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 42.2 t30 174.58 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.696 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -177.93 42.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.7 ' HA ' HG23 ' A' ' 118' ' ' ILE . 1.3 mtm105 -66.95 -43.19 46.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.95 -93.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.2 m 31.19 85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.887 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -51.76 -30.06 21.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -23.4 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.778 HD23 ' C ' ' A' ' 129' ' ' LEU . 1.2 tt -83.66 -57.39 3.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.606 ' N ' HD23 ' A' ' 129' ' ' LEU . 10.8 pt20 -43.73 -35.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.887 HD12 ' O ' ' A' ' 127' ' ' LYS . 5.9 mt -81.3 -34.26 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 4.4 m -57.34 -53.87 53.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.703 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -56.87 -56.89 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.559 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -51.52 -36.97 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -77.7 -23.43 49.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.949 ' C ' HD13 ' A' ' 137' ' ' LEU . 2.5 tt0 -58.78 -50.17 74.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.949 HD13 ' C ' ' A' ' 136' ' ' GLN . 0.1 OUTLIER -123.87 26.76 7.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.649 ' C ' HD23 ' A' ' 139' ' ' LEU . . . -175.44 -125.47 0.87 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.649 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER 175.16 -35.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.254 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.34 150.75 41.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 141' ' ' LEU . 0.9 OUTLIER -78.61 0.53 26.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.442 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 0.6 OUTLIER -51.96 -49.58 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 0.6 OUTLIER -57.64 -50.42 73.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 148' ' ' PHE . 54.8 t -41.75 -52.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.71 -39.36 70.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 143' ' ' THR . 10.9 t-20 -43.75 -48.79 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -90.06 -67.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.951 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.777 ' CD1' HG13 ' A' ' 144' ' ' VAL . 9.0 m-85 -34.71 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -83.64 -49.36 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 147' ' ' PHE . 63.5 m-20 -62.38 -47.44 84.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.772 ' HB1' ' CE2' ' A' ' 119' ' ' PHE . . . -78.45 -69.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.612 HG21 ' CE2' ' A' ' 66' ' ' TRP . 2.3 tp -147.32 118.96 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.456 ' CB ' ' HB2' ' A' ' 11' ' ' GLU . 6.0 m-20 -58.14 106.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.647 ' HB ' ' CE2' ' A' ' 62' ' ' PHE . 30.9 p -54.73 -34.43 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.456 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -71.69 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 5.0 mm-40 -59.41 -57.54 12.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG21 ' NE1' ' A' ' 66' ' ' TRP . 3.8 p -40.58 -38.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -54.91 -67.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 0.6 OUTLIER -65.94 -19.8 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.7 -42.23 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.673 HD13 HD12 ' A' ' 42' ' ' LEU . 5.5 mt -59.75 -45.98 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.4 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -74.22 -19.46 60.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -90.99 -24.9 19.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -85.37 -53.42 5.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.791 ' HB3' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -43.42 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -90.24 -60.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER 167.08 -29.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 168.51 37.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.0 63.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.791 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -69.66 139.76 88.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.546 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -74.96 92.17 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.705 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 4.0 mp0 -40.58 -27.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.72 -49.58 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.1 mp -77.38 -41.24 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -70.74 -4.15 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -92.33 -48.29 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -91.04 -8.98 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.47 -72.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.455 HG22 ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -123.98 -57.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.695 HD23 ' CB ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -121.6 167.29 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.8 p -75.36 -37.88 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.942 ' HB3' HG21 ' A' ' 41' ' ' THR . 2.2 mmp_? -59.52 145.58 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 11.6 m -164.94 -177.95 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.953 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER 66.91 47.2 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 45.73 35.34 5.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.942 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -41.1 -26.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.726 HD13 ' CD1' ' A' ' 62' ' ' PHE . 13.5 mt -63.23 -50.41 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' GLY . 0.4 OUTLIER -64.86 -20.97 66.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.92 -44.9 37.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD12 ' HG ' ' A' ' 55' ' ' LEU . 1.3 tm? -78.8 -19.03 53.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.708 ' CD1' HD12 ' A' ' 55' ' ' LEU . 6.0 mp -90.09 0.29 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.33 -59.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.6 p30 -60.33 159.25 23.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -152.67 89.92 3.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.19 13.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.7 m0 68.17 37.69 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.994 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 t -64.84 -43.19 93.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 70.9 25.28 3.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.708 HD12 ' CD1' ' A' ' 46' ' ' LEU . 0.0 OUTLIER 38.99 78.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -46.9 -29.78 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.589 ' HB2' HD23 ' A' ' 55' ' ' LEU . 6.9 m -53.39 -39.85 64.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 99.84 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.41 -26.99 68.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -33.46 75.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.478 HG22 HD21 ' A' ' 42' ' ' LEU . 22.9 m -58.29 -66.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.726 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -40.8 -42.75 1.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.085 . . . . 0.0 111.005 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 22.0 ttt180 -65.2 -46.84 79.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.695 ' CB ' HD23 ' A' ' 35' ' ' LEU . 6.3 mmt85 -50.47 -50.03 53.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' TRP . 1.9 mpt? -53.29 -60.15 3.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.612 ' CE2' HG21 ' A' ' 7' ' ' ILE . 4.0 m0 -44.79 -27.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -65.71 -46.58 78.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -45.87 -51.19 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' HG23 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -75.24 -30.8 60.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 32.4 tt0 -55.01 -39.69 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 70' ' ' GLN . 0.6 OUTLIER -33.7 139.5 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.03 56.99 4.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 173.93 133.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.17 -33.89 13.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.562 ' HG2' ' CH2' ' A' ' 68' ' ' TRP . 2.4 tp60 72.32 59.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -100.07 32.08 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.6 mmt -121.14 -49.88 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . 58.4 m -77.32 -84.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -39.72 -61.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 93.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -153.63 158.42 41.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 3.4 pp -96.03 170.65 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . 75.78 164.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 60.48 81.9 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 50.7 m -148.32 160.85 42.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.253 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 137.26 14.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -86.69 140.37 29.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.25 86.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.2 58.73 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.54 103.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.44 ' C ' ' CD2' ' A' ' 92' ' ' HIS . 2.1 mt-10 -179.29 124.16 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 91' ' ' GLU . 28.1 m-70 -151.16 123.05 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 56.98 161.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 mttp 68.18 173.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -108.19 -57.61 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.66 161.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -154.43 -175.18 25.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -177.76 160.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.4 m -147.15 91.19 5.17 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.411 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.82 26.21 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.77 133.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -162.25 90.81 1.36 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.6 42.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.46 1.768 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.42 168.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.62 97.99 6.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.474 HG12 ' HB ' ' A' ' 143' ' ' THR . 66.5 t -93.62 -80.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 39.26 85.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.458 ' CB ' ' NE2' ' A' ' 111' ' ' GLN . 19.5 m -110.23 171.16 7.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' H ' HG22 ' A' ' 108' ' ' THR . 8.4 t0 -88.06 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.6 t -57.43 -51.14 73.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.506 ' CG ' ' HB2' ' A' ' 137' ' ' LEU . 7.0 mt-30 -58.82 -60.95 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -52.77 -20.8 3.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -85.9 -25.5 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.526 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 61.0 m -77.78 -59.67 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.067 ' CD2' HG13 ' A' ' 144' ' ' VAL . 7.2 tp -59.69 -40.36 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.55 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 57.4 t60 -51.87 -49.9 62.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.617 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.02 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.996 HG13 HD11 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -68.28 -27.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.594 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -49.35 -23.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -73.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 168.86 107.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.5 -60.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 1.012 ' O ' HD22 ' A' ' 129' ' ' LEU . 2.1 mtmt -149.53 29.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.49 ' HA ' ' CG2' ' A' ' 118' ' ' ILE . 0.8 OUTLIER -34.1 -53.71 0.88 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.0 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.578 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.3 m 24.11 80.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 126' ' ' SER . 0.7 OUTLIER -38.36 -31.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -66.34 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 1.012 HD22 ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -41.76 -53.64 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.634 ' HB3' HG11 ' A' ' 144' ' ' VAL . 33.1 mt-30 -42.57 -49.91 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.2 mm -77.52 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 129' ' ' LEU . 8.5 m -66.0 -46.47 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -68.99 -41.6 81.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -65.27 -42.51 93.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 139' ' ' LEU . 6.2 tm0? -79.05 -16.85 56.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.5 ' HB3' HD22 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -68.31 -38.22 81.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 2.9 mm? -113.28 -33.39 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 134' ' ' SER . . . -132.48 -110.8 1.26 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 0.4 OUTLIER -179.34 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.61 138.95 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.9 pp -72.71 -4.15 29.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.424 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.6 OUTLIER -42.3 -50.73 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.474 ' HB ' HG12 ' A' ' 106' ' ' VAL . 14.3 t -69.04 -45.69 69.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 1.067 HG13 ' CD2' ' A' ' 115' ' ' LEU . 78.9 t -43.55 -35.9 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -39.89 56.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -40.56 -39.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.634 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 0.1 OUTLIER -83.53 -68.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.634 ' N ' ' CG ' ' A' ' 147' ' ' PHE . 11.5 m-85 -41.5 -26.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 147' ' ' PHE . 22.6 tpp -77.83 -54.51 6.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -68.47 -52.17 35.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' A' ' 119' ' ' PHE . . . -69.9 -82.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.88 HG23 HG21 ' A' ' 12' ' ' VAL . 1.7 mp 66.13 118.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 2.5 m120 -91.93 -170.19 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 1.6 m -100.61 -58.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -32.39 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.9 67.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.88 HG21 HG23 ' A' ' 7' ' ' ILE . 2.6 p -73.98 -50.24 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -47.49 -58.38 4.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -26.84 64.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -71.78 -59.19 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.048 HD13 HD12 ' A' ' 42' ' ' LEU . 3.7 mt -38.66 -36.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.703 ' HA ' HD11 ' A' ' 25' ' ' ILE . 1.1 m -67.36 -51.02 57.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' ARG . 50.6 m -83.23 0.09 47.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -90.9 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.728 HD21 ' CE1' ' A' ' 30' ' ' PHE . 3.9 mp -53.66 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -90.75 -70.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.565 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 168.71 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.8 m-85 177.7 34.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.5 m -161.9 64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 17' ' ' THR . 47.6 mm -57.58 119.08 29.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 18.3 Cg_endo -74.97 84.94 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -37.82 -32.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.43 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.413 HG21 ' HB2' ' A' ' 79' ' ' ALA . 2.1 mp -67.86 -50.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CE1' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -52.48 -27.6 16.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -91.83 -17.92 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -88.79 -7.8 55.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' NH1' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -91.03 -80.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -48.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -60.15 161.75 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 68.2 m -100.48 -36.1 9.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -171.78 96.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.555 ' HB2' HG22 ' A' ' 41' ' ' THR . 11.9 p -170.45 169.4 7.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -156.55 60.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.82 9.41 40.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.704 ' OG1' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -40.33 -32.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 110.38 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.048 HD12 HD13 ' A' ' 16' ' ' ILE . 13.4 mt -37.38 -46.51 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' ARG . 32.3 t -75.65 -42.13 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 56.3 m-20 -53.35 -58.3 7.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.043 HD11 HD21 ' A' ' 55' ' ' LEU . 2.0 pp -62.08 -25.38 67.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.691 HD12 ' O ' ' A' ' 42' ' ' LEU . 42.7 mt -90.74 1.71 56.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -41.1 -32.46 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -72.42 154.04 91.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 93.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.86 86.98 8.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.08 9.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 16.9 m0 55.77 60.64 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 108.017 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.2 t -89.91 -48.25 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 83.68 36.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 40.22 73.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -45.97 -41.51 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.93 -53.7 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -173.24 105.39 0.21 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -25.97 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 110.274 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -45.56 -47.75 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.5 HG22 HD21 ' A' ' 42' ' ' LEU . 2.1 m -50.61 -58.1 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -50.13 -38.77 40.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -67.01 -38.28 85.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.11 -60.57 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.721 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -55.27 -58.25 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 62' ' ' PHE . 18.7 m0 -45.92 -55.53 6.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 18.6 mttt -40.76 -37.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CE3' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -58.89 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.013 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.818 HD21 HG12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.59 -6.95 28.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -78.13 -38.76 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -41.55 148.94 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 62.45 5.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.83 129.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.35 -51.73 68.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -179.59 68.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.29 46.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.7 ttt -134.46 -56.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.463 ' OG ' ' NH1' ' A' ' 33' ' ' ARG . 5.0 m -96.77 -61.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' HB2' HG21 ' A' ' 29' ' ' ILE . . . -39.97 133.63 1.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 tp -42.4 117.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 101.0 9.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.69 124.85 9.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -57.3 166.85 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 83' ' ' ALA . . . 72.72 154.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.44 175.48 9.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -119.06 -171.74 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -143.44 114.37 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 178.81 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.31 -70.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 1.2 mt-30 -168.39 -178.03 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.1 mt-10 165.11 149.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -173.94 162.49 3.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.629 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.35 106.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' N ' ' OD2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER 65.41 -169.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.39 166.6 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -178.29 143.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.6 176.26 38.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.7 142.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -162.96 110.37 1.04 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -170.23 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -179.13 102.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 146.56 32.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.4 9.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.51 170.79 18.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.63 100.67 7.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.507 ' CG1' ' OG ' ' A' ' 142' ' ' SER . 75.5 t -146.07 -88.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.463 ' N ' ' OG ' ' A' ' 142' ' ' SER . 96.5 m-85 41.55 95.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -107.3 161.06 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.2 OUTLIER -86.83 -46.9 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.48 HG12 HD21 ' A' ' 137' ' ' LEU . 69.4 t -59.71 -48.27 88.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.613 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.2 tt0 -61.19 -61.52 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -56.46 -24.49 46.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 44.0 ttt180 -72.05 -32.72 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.566 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 54.4 m -68.77 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 133' ' ' ILE . 7.6 tp -57.69 -36.27 71.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.621 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 42.0 t60 -52.42 -41.79 63.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.31 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.974 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -65.23 -33.89 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.612 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.9 t80 -43.44 -25.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.38 -70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 0.1 OUTLIER 160.0 110.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.52 -69.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.96 ' O ' HD22 ' A' ' 129' ' ' LEU . 1.1 mttt -145.57 40.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.9 OUTLIER -39.27 -51.08 4.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.557 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.05 -91.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.557 ' C ' ' O ' ' A' ' 125' ' ' PRO . 3.0 m 25.29 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.606 ' O ' HD12 ' A' ' 131' ' ' ILE . 1.7 mmtt -45.33 -25.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 126' ' ' SER . 2.5 tp10 -74.01 -42.51 60.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.974 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -64.01 -62.03 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.703 ' N ' HD23 ' A' ' 129' ' ' LEU . 1.1 pt20 -41.77 -35.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 127' ' ' LYS . 58.7 mt -80.44 -39.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 129' ' ' LEU . 21.2 m -48.49 -57.49 6.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.686 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -57.96 -55.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.523 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -50.11 -24.73 2.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -90.96 -24.42 20.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.79 -63.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 110' ' ' VAL . 4.5 mm? -70.65 -12.45 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.871 ' C ' HD22 ' A' ' 139' ' ' LEU . . . 70.35 63.62 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.871 HD22 ' C ' ' A' ' 138' ' ' GLY . 3.9 mm? -133.69 -98.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.556 ' OE1' HD23 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -178.66 -170.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.556 HD23 ' OE1' ' A' ' 140' ' ' GLU . 2.7 pp -47.54 -20.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.507 ' OG ' ' CG1' ' A' ' 106' ' ' VAL . 3.5 t -32.5 -53.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.504 ' CB ' ' HG2' ' A' ' 111' ' ' GLN . 5.9 t -64.49 -52.05 59.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.629 HG13 ' CE2' ' A' ' 148' ' ' PHE . 95.5 t -44.05 -60.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.3 OUTLIER -59.52 -47.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.997 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 112' ' ' ARG . 52.1 t-20 -45.26 -51.88 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.621 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.6 t80 -78.17 -72.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.629 ' CE2' HG13 ' A' ' 144' ' ' VAL . 7.8 m-30 -33.07 -37.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.513 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.5 ttm -82.56 -52.22 7.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -59.15 -47.08 86.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.588 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.23 -73.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.648 ' CG2' ' CZ2' ' A' ' 66' ' ' TRP . 4.3 tp -93.2 17.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 2.2 m-20 66.65 140.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.715 HG23 HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -103.43 -45.69 4.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -96.16 -43.8 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -65.51 -24.02 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 13' ' ' ALA . 4.9 p -75.4 -52.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . . . -48.07 -56.48 7.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -62.01 -22.84 66.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -72.78 -47.9 42.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.661 HD13 ' HB3' ' A' ' 65' ' ' MET . 2.9 mt -63.83 -16.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -91.03 -39.52 12.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.412 ' HA ' ' C ' ' A' ' 22' ' ' ARG . 32.9 m -90.76 -12.14 37.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.722 ' CB ' HD11 ' A' ' 69' ' ' LEU . 7.5 mm-40 -91.08 -57.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.841 ' HB3' HD13 ' A' ' 25' ' ' ILE . 2.7 mp -41.04 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.2 tttt -87.06 -54.57 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER 156.75 -23.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.3 OUTLIER 170.48 37.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 161.35 74.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -70.33 138.06 86.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.593 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.04 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.663 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 4.7 mp0 -40.08 -28.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.84 -47.8 83.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -67.07 -51.15 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -67.83 -4.94 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.17 -52.09 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -5.05 59.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.551 ' HE ' HG23 ' A' ' 34' ' ' VAL . 4.9 tpm_? -90.53 -77.06 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.887 HG11 ' O ' ' A' ' 64' ' ' ARG . 9.3 t -120.24 -78.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.674 HD11 ' HE3' ' A' ' 65' ' ' MET . 9.6 mt -60.09 176.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.0 m -96.75 -41.41 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.07 98.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.0 m -170.13 152.74 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.78 71.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 84.64 25.91 40.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.98 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 0.787 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.553 HD12 HD13 ' A' ' 16' ' ' ILE . 10.7 mt -48.91 -61.49 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -55.06 -44.2 74.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.499 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 57.5 m-20 -52.8 -56.7 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.95 HD13 HD11 ' A' ' 55' ' ' LEU . 4.0 pp -68.94 -20.8 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.715 HD21 HG23 ' A' ' 9' ' ' THR . 0.4 OUTLIER -91.31 2.49 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -38.34 -30.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.24 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.78 145.7 50.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 99.09 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -141.23 84.91 12.35 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 126.81 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.3 m0 67.14 43.92 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.488 ' H ' HG21 ' A' ' 9' ' ' THR . 0.3 OUTLIER -83.59 -56.06 3.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 82.23 33.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.95 HD11 HD13 ' A' ' 45' ' ' LEU . 2.4 mm? 39.18 79.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -24.65 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -57.59 11.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.072 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 99.74 0.17 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -28.44 15.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 0.783 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -48.94 -44.62 40.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.8 m -52.79 -58.76 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.759 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -45.63 -39.82 8.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' ARG . 1.1 mtm180 -64.77 -58.02 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.887 ' O ' HG11 ' A' ' 34' ' ' VAL . 1.4 ttm180 -35.34 -40.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.674 ' HE3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -73.68 -51.11 17.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.648 ' CZ2' ' CG2' ' A' ' 7' ' ' ILE . 13.3 m0 -54.17 -27.13 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 8.2 mtpt -63.13 -62.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.709 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.9 t90 -42.34 -48.27 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 19' ' ' GLU . 2.3 tp -62.65 -60.29 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.476 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -44.17 -52.04 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 70' ' ' GLN . 34.7 mm-40 -32.92 139.28 0.23 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.3 Cg_endo -74.98 52.11 2.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 72' ' ' PRO . 1.9 mp0 31.21 71.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 75' ' ' GLN . 1.9 t80 -96.52 -41.12 8.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' HG3' HG23 ' A' ' 29' ' ' ILE . 2.2 tm0? -38.22 -76.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.1 OUTLIER -154.1 36.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 2.5 ttp 81.78 -49.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 p -168.34 71.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 25' ' ' ILE . . . 48.23 -167.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.599 HD12 ' C ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -147.32 129.83 15.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -46.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 82' ' ' LEU . 3.6 mp 64.33 -178.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.612 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . -93.57 130.19 39.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 83' ' ' ALA . . . 169.46 88.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 128.02 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 108.315 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -164.46 84.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.95 159.93 15.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.96 -63.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -131.85 111.26 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -81.54 -61.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 57.23 90.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 166.56 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.606 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.5 149.69 0.25 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 1.7 tmmt? -40.59 134.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.53 -172.61 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.49 -177.43 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -79.82 -165.0 30.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -137.34 -175.78 4.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 99' ' ' THR . 10.1 t -92.34 112.11 53.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -173.22 1.49 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -78.87 -172.07 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -71.04 168.29 22.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.18 5.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 178.83 160.11 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.615 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -135.45 -161.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -147.6 -67.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.585 ' CZ ' ' OD1' ' A' ' 146' ' ' ASN . 2.9 t80 45.97 95.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 151.99 38.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.13 -27.53 21.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.73 -46.27 75.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.756 ' HA ' HD11 ' A' ' 133' ' ' ILE . 6.0 mp0 -69.59 -59.29 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.714 HH21 ' HG2' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -49.65 -22.61 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.714 ' HG2' HH21 ' A' ' 112' ' ' ARG . 9.6 mtt180 -77.31 -43.88 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.46 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 63.1 m -63.67 -60.42 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.077 HD13 HG21 ' A' ' 133' ' ' ILE . 6.9 tp -55.37 -41.84 73.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.635 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 35.5 t60 -50.87 -34.09 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.63 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.14 -25.1 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.97 HG13 HD11 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -69.48 -24.9 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 151' ' ' ALA . 2.7 t80 -49.1 -19.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 69.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.621 ' CB ' HD13 ' A' ' 118' ' ' ILE . 1.6 tt0 -134.89 -76.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -178.23 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.735 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.6 OUTLIER -90.08 22.66 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.556 ' CB ' ' HD3' ' A' ' 125' ' ' PRO . 2.7 mtm180 -29.74 -57.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.556 ' HD3' ' CB ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.01 -92.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 125' ' ' PRO . 35.3 m 32.41 82.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.052 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -48.51 -44.29 35.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -49.94 75.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.97 HD11 HG13 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -46.13 -51.25 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.769 ' HG3' HG21 ' A' ' 144' ' ' VAL . 0.3 OUTLIER -46.64 -41.93 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.422 ' N ' ' HG2' ' A' ' 130' ' ' GLN . 3.1 mt -80.07 -23.33 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' LEU . 95.9 m -66.69 -47.12 73.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 1.077 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -71.69 -45.2 67.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.476 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 1.0 OUTLIER -57.59 -37.32 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.95 -21.3 26.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.645 ' C ' HD13 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -54.84 -48.99 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 136' ' ' GLN . 0.7 OUTLIER -116.98 -12.1 10.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.476 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -132.13 -132.0 3.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.499 HD12 ' OE1' ' A' ' 140' ' ' GLU . 0.2 OUTLIER -168.62 -42.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.499 ' OE1' HD12 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -69.31 174.67 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pp -99.98 1.18 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.5 t -55.34 -50.91 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 146' ' ' ASN . 62.1 p -52.11 -40.01 60.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.769 HG21 ' HG3' ' A' ' 130' ' ' GLN . 45.0 t -61.78 -44.05 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -60.84 -45.95 92.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.585 ' OD1' ' CZ ' ' A' ' 107' ' ' PHE . 2.6 m-80 -43.02 -53.87 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.635 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.1 t80 -76.87 -70.61 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.695 ' CE2' ' CG1' ' A' ' 144' ' ' VAL . 7.1 m-30 -33.4 -34.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.518 ' O ' ' CG ' ' A' ' 152' ' ' ARG . 18.7 mmt -90.73 -46.0 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 146' ' ' ASN . 5.5 t-20 -61.91 -41.3 97.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.61 ' O ' ' CZ ' ' A' ' 119' ' ' PHE . . . -90.18 0.34 57.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 149' ' ' MET . 25.2 ptt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.031 HG23 HG21 ' A' ' 12' ' ' VAL . 4.1 mp 60.95 105.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.44 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -84.16 -168.19 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.482 HG23 HD21 ' A' ' 46' ' ' LEU . 1.2 m -101.84 -55.61 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -97.4 -26.56 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.66 -27.31 45.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.031 HG21 HG23 ' A' ' 7' ' ' ILE . 7.8 p -70.64 -52.28 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.679 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -50.87 -63.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -27.31 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 19' ' ' GLU . 7.9 ttt180 -67.51 -59.84 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.896 ' CD1' HD12 ' A' ' 42' ' ' LEU . 4.6 mt -35.95 -43.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -58.42 -51.63 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.423 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 22' ' ' ARG . 4.9 m -88.35 1.06 55.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.618 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.84 -52.35 4.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.8 HD11 ' CD2' ' A' ' 68' ' ' TRP . 4.6 mm? -55.73 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.5 tttt -84.02 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER 160.91 -29.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 2.4 m-85 179.39 35.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.83 63.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.829 HD11 ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -57.49 125.38 71.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.505 ' HB2' HD12 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -74.97 80.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -35.49 -36.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 31' ' ' ALA . . . -59.01 -60.17 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 79' ' ' ALA . 5.1 mt -59.59 -43.26 90.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 1.219 ' CE2' HD23 ' A' ' 35' ' ' LEU . 21.4 t80 -69.84 -4.44 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -93.27 -41.79 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -15.67 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HD3' ' CE2' ' A' ' 68' ' ' TRP . 0.0 OUTLIER -66.69 -79.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.891 HG13 HD22 ' A' ' 35' ' ' LEU . 2.5 p -125.6 -66.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.219 HD23 ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -68.03 149.15 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.639 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 2.1 p -55.37 -56.84 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.12 110.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 2.8 m -170.9 134.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.794 ' HB2' HG23 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -119.43 60.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 30.98 3.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.425 HG22 ' CE ' ' A' ' 65' ' ' MET . 2.4 t -52.78 -35.82 57.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.896 HD12 ' CD1' ' A' ' 16' ' ' ILE . 28.3 mt -47.57 -57.62 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.445 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -54.82 -38.13 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.97 -60.26 4.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.997 HD13 HD21 ' A' ' 55' ' ' LEU . 3.5 pp -62.4 -19.26 63.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.74 HD11 ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -89.8 4.07 50.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -33.45 -47.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 46' ' ' LEU . 1.3 p-10 -72.4 146.18 88.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.464 1.771 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.2 OUTLIER -137.87 102.07 8.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 121.01 6.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m0 45.13 61.53 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 46.5 t -91.29 -54.53 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 87.27 38.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.997 HD21 HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER 37.74 76.98 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -59.03 -31.65 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.415 ' HB2' HD22 ' A' ' 55' ' ' LEU . 4.5 m -54.0 -45.67 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.91 108.87 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -68.49 -25.75 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -61.52 -36.99 82.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.59 HG22 HD21 ' A' ' 42' ' ' LEU . 2.7 m -58.65 -64.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CE1' HD11 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -42.91 -47.32 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.537 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -61.96 -48.5 80.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.548 ' CG ' HD11 ' A' ' 35' ' ' LEU . 1.2 ttt180 -37.72 -48.11 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.8 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -65.29 -53.48 43.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.953 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.647 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 11.8 m0 -49.58 -36.95 25.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 108.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 14.7 mttt -51.11 -55.48 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.8 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -43.79 -59.29 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 108.016 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.52 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.72 -33.61 64.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.508 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -77.18 1.51 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.581 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -131.09 55.16 17.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.581 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -75.01 -40.15 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.469 1.773 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.57 -80.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' PRO . 6.9 t80 -164.53 27.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 74' ' ' PHE . 5.2 mm-40 36.26 65.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -175.38 34.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.74 9.42 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.4 m -167.76 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.702 ' HA ' HD13 ' A' ' 29' ' ' ILE . . . -62.08 132.69 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.564 HD13 ' N ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -172.67 139.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.564 ' N ' HD13 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.69 139.2 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.645 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -167.56 129.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . 80.63 148.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.51 100.04 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.19 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.99 66.24 1.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -151.24 -61.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp 68.43 71.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -127.52 133.07 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 91' ' ' GLU . 38.7 tt0 -166.42 153.39 9.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' N ' ' HG2' ' A' ' 90' ' ' GLN . 0.8 OUTLIER 175.65 86.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 62.43 171.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.597 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.8 -103.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.41 103.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.29 178.87 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -146.64 158.78 43.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -163.35 176.6 39.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.87 146.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 1.2 m -150.92 129.5 6.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 99' ' ' THR . 18.4 Cg_endo -74.94 155.46 43.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -95.91 176.38 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.91 91.14 0.53 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.29 42.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.43 175.71 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.57 101.94 7.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 107' ' ' PHE . 2.6 t -113.32 -72.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.536 ' N ' HG12 ' A' ' 106' ' ' VAL . 2.0 m-85 36.57 88.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.442 HG21 ' NE2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -98.97 163.72 12.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.95 -41.48 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.2 p -66.84 -40.37 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.536 ' O ' HD11 ' A' ' 133' ' ' ILE . 35.0 mt-30 -66.86 -59.91 3.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -53.88 -18.9 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -82.68 -29.33 30.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.521 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 37.5 m -75.04 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.748 HD22 HG21 ' A' ' 133' ' ' ILE . 3.6 tp -59.37 -33.2 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.624 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 48.7 t60 -62.6 -36.09 81.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.58 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.22 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.913 HG13 HD11 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -71.26 -49.7 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.55 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -44.48 -27.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -69.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 170.0 104.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.548 ' HB2' HD13 ' A' ' 118' ' ' ILE . 1.6 m-20 -161.52 -76.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.899 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -149.62 42.88 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.644 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 15.1 mtm180 -58.11 -42.63 96.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.1 Cg_endo -75.02 58.65 4.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.552 1.817 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 129' ' ' LEU . 2.8 m -150.99 90.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.421 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -46.41 -36.19 6.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -37.15 86.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.913 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -59.99 -52.85 63.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.847 ' N ' HD23 ' A' ' 129' ' ' LEU . 25.9 tt0 -45.61 -40.4 8.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 127' ' ' LYS . 4.3 mt -81.74 -25.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 84.0 m -63.36 -50.32 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.748 HG21 HD22 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.18 -53.64 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.598 ' HB3' HG23 ' A' ' 144' ' ' VAL . 0.9 OUTLIER -55.28 -37.66 67.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 19.2 tt0 -86.23 -2.35 58.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.5 -44.62 20.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.485 ' HB2' ' CG ' ' A' ' 111' ' ' GLN . 1.5 mp -128.23 21.85 6.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -167.64 -120.31 0.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' SER . 1.1 pp 169.72 -34.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.754 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.83 153.04 38.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -2.97 49.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -60.6 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.526 HG21 ' OE1' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -49.72 -48.9 49.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.72 HG21 ' HG2' ' A' ' 130' ' ' GLN . 2.0 t -44.97 -49.3 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -40.2 89.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.513 ' HA ' ' CE2' ' A' ' 107' ' ' PHE . 36.6 t-20 -41.54 -45.29 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.628 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 0.8 OUTLIER -88.88 -68.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.517 ' HE1' HD21 ' A' ' 115' ' ' LEU . 5.4 m-85 -35.01 -35.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -80.01 -52.4 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.35 -50.31 72.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.628 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -73.15 -70.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.019 HG23 HG21 ' A' ' 12' ' ' VAL . 2.2 mp 65.38 85.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.41 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.766 ' O ' HD21 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -100.62 -55.19 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.432 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.81 ' HG2' HD23 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -88.38 -42.58 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.4 mt-10 -58.11 -22.96 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.019 HG21 HG23 ' A' ' 7' ' ' ILE . 1.4 t -80.95 -58.9 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . . . -43.48 -38.04 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -79.17 -35.15 42.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -59.55 -40.95 88.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.764 HG13 HD11 ' A' ' 69' ' ' LEU . 3.7 mt -64.6 -63.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 23' ' ' TYR . 60.0 m -56.71 -16.99 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.36 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 17.3 m -92.02 -37.93 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ARG . 7.6 tp10 -81.46 -54.17 5.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.891 ' HB3' HD13 ' A' ' 25' ' ' ILE . 55.5 mt -39.79 -88.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -91.9 -60.07 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.605 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER 168.04 -28.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 1.4 m-85 173.21 36.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER 164.07 77.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.891 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -66.75 138.61 95.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.555 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.3 Cg_endo -75.05 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.744 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 6.4 mp0 -40.52 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.96 -48.95 78.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.528 HG22 ' HG3' ' A' ' 33' ' ' ARG . 24.1 mm -68.77 -48.68 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CE2' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -71.11 -0.74 10.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -91.71 -47.82 7.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.19 1.33 56.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HG3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -90.31 -77.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.638 HG23 ' H ' ' A' ' 35' ' ' LEU . 30.0 m -122.72 -61.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.7 HD22 ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.87 168.9 19.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.565 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 84.1 m -85.01 -43.85 13.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' ARG . 2.9 ptm180 -172.12 101.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -170.49 139.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.483 ' HG2' ' CG ' ' A' ' 27' ' ' GLN . 1.3 pt20 -123.09 73.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 92.52 38.03 5.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.716 HG22 ' HE3' ' A' ' 65' ' ' MET . 0.0 OUTLIER -46.91 -21.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.422 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.955 HD22 ' CD1' ' A' ' 62' ' ' PHE . 33.5 mt -64.73 -57.19 9.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -13.39 32.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' A' ' 41' ' ' THR . 3.7 m-20 -80.72 -55.92 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.896 HD12 ' HG ' ' A' ' 55' ' ' LEU . 2.5 tm? -70.82 -21.57 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.81 HD23 ' HG2' ' A' ' 10' ' ' LYS . 7.9 mp -76.32 -1.92 29.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 92' ' ' HIS . 1.5 tmt_? -37.41 -35.19 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -91.46 146.96 34.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.78 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' O ' HG21 ' A' ' 9' ' ' THR . 0.0 OUTLIER -146.09 106.25 4.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.47 13.32 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 15.3 m0 62.56 45.4 6.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 55' ' ' LEU . 1.2 t -79.33 -37.56 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.52 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.896 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 47.0 65.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -47.39 -44.55 24.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 m -50.62 -46.61 58.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.4 77.99 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -17.62 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -47.57 -35.81 9.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.9 m -59.0 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.955 ' CD1' HD22 ' A' ' 42' ' ' LEU . 5.3 m-85 -52.63 -59.48 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -41.84 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.521 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 9.9 mmt180 -64.96 -52.6 55.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.716 ' HE3' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -47.07 -48.75 22.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.833 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -59.19 -31.82 69.36 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 3.2 ttpp -51.65 -53.24 40.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.627 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -50.76 -57.97 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 107.982 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.764 HD11 HG13 ' A' ' 16' ' ' ILE . 2.2 mt -55.41 -35.73 65.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.502 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -77.24 2.39 15.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.579 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 1.2 mp0 -131.39 55.27 17.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.579 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.3 Cg_endo -74.98 -30.39 7.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -106.32 91.02 3.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.74 -45.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.455 ' OE1' ' NE ' ' A' ' 33' ' ' ARG . 4.6 pm0 -118.56 -34.69 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 75' ' ' GLN . 2.8 ttt180 44.38 35.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 ttt -167.96 43.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -131.33 -87.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.38 130.12 2.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER 178.71 164.89 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.412 ' H ' HD23 ' A' ' 80' ' ' LEU . 37.3 ttt180 -94.43 150.7 20.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.46 170.9 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.18 108.73 20.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.47 135.93 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.1 t -174.05 104.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 108.264 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.45 130.48 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? 57.32 169.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER -179.48 151.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 2.3 mt-10 -174.84 109.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -173.96 160.1 3.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.16 55.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.435 ' HB2' ' CG ' ' A' ' 47' ' ' ARG . 16.8 m80 57.17 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.579 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 95' ' ' ASP . . . 79.39 136.12 1.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.08 95.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' GLY . 0.4 OUTLIER -153.89 93.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -83.64 173.26 11.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.33 -172.5 13.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -168.32 -179.43 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.739 HG23 ' HD2' ' A' ' 100' ' ' PRO . 2.4 m -157.49 146.56 14.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 99' ' ' THR . 18.4 Cg_endo -74.95 119.39 5.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HD2' HD11 ' A' ' 141' ' ' LEU . 0.1 OUTLIER -126.72 -170.12 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -155.68 113.2 2.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.25 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.436 ' O ' ' CG ' ' A' ' 104' ' ' ARG . 18.2 Cg_endo -75.03 -175.12 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 106' ' ' VAL . 1.0 OUTLIER 43.35 -162.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tp 61.67 -82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 140' ' ' GLU . 2.3 t -39.94 -59.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.647 ' C ' ' O ' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -10.26 88.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 106' ' ' VAL . 2.5 m -97.91 158.4 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 1.1 t70 -86.71 -38.76 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.74 -47.53 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.586 ' HA ' HD11 ' A' ' 133' ' ' ILE . 79.5 mt-30 -59.29 -60.45 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.518 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -50.34 -21.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -80.35 -30.66 38.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.502 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 77.5 m -76.84 -57.76 3.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.691 HD22 HG21 ' A' ' 133' ' ' ILE . 5.2 tp -58.04 -52.08 67.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.58 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 21.4 t-160 -49.32 -40.97 37.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.62 69.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.83 HG13 HD11 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -74.55 -24.25 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.595 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 12.3 t80 -51.3 -23.75 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -77.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 174.79 106.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -176.04 -67.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.906 ' CB ' HD13 ' A' ' 129' ' ' LEU . 16.2 mmtt -135.39 36.55 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.497 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.1 OUTLIER -43.73 -51.82 15.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.553 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -75.01 -92.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.6 m 25.33 76.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.96 -38.36 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 129' ' ' LEU . 12.7 pt-20 -61.62 -46.98 87.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.906 HD13 ' CB ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -51.98 -55.73 18.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.8 ' CG ' HG11 ' A' ' 144' ' ' VAL . 0.4 OUTLIER -42.19 -39.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.6 mt -84.83 -27.13 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . 24.2 m -63.42 -46.21 87.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.691 HG21 HD22 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -67.65 -53.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -55.47 -36.37 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -79.66 -28.97 40.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.78 ' HB3' HD12 ' A' ' 137' ' ' LEU . 14.8 tp60 -52.22 -49.73 63.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' A' ' 136' ' ' GLN . 4.1 mp -126.52 33.69 4.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.778 ' C ' HD23 ' A' ' 139' ' ' LEU . . . -178.28 -127.91 1.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.778 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER 178.5 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.649 ' HB2' HG21 ' A' ' 106' ' ' VAL . 28.7 mp0 -75.01 174.13 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.648 ' H ' HD13 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -97.03 0.64 49.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.455 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.3 OUTLIER -48.22 -59.37 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 134' ' ' SER . 3.1 t -53.55 -53.27 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.8 HG11 ' CG ' ' A' ' 130' ' ' GLN . 71.2 t -43.62 -47.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -57.3 -39.95 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.553 ' HA ' ' CE2' ' A' ' 107' ' ' PHE . 38.3 t-20 -45.36 -50.57 12.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 151' ' ' ALA . 0.1 OUTLIER -83.29 -68.29 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.604 ' CD1' HG13 ' A' ' 144' ' ' VAL . 6.2 m-85 -35.74 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 145' ' ' SER . 26.8 tpp -87.24 -44.4 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 147' ' ' PHE . 16.3 t30 -66.8 -49.36 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -76.91 -66.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.5 mp -107.47 -41.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 64.76 94.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.744 HG22 ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -56.54 -44.84 81.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.408 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -66.56 -57.38 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.4 mt-10 -60.22 -21.73 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.874 HG13 HD11 ' A' ' 16' ' ' ILE . 2.1 t -65.95 -61.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.583 ' HB1' ' CA ' ' A' ' 43' ' ' SER . . . -43.93 -55.61 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -63.63 -30.64 71.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 19' ' ' GLU . 5.6 mtt180 -64.84 -67.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.874 HD11 HG13 ' A' ' 12' ' ' VAL . 2.7 mp -41.5 -30.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.764 HG22 ' HA ' ' A' ' 23' ' ' TYR . 3.4 m -68.48 -48.39 64.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 15' ' ' ARG . 49.4 m -91.31 -3.48 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -91.84 -49.28 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.856 ' HB3' HD13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -65.39 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.8 ttpp -84.13 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 1.4 ptt85 163.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.764 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER 174.14 36.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 167.11 76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.856 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.5 tp -70.35 132.92 87.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.787 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . 5.2 mp0 -36.97 -56.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -38.9 -43.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.609 HD13 ' HG2' ' A' ' 26' ' ' PRO . 1.4 mp -71.98 -50.05 40.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.639 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -64.78 -5.06 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' CYS . . . -88.41 -47.37 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -3.99 58.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' NE ' ' OE1' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -91.09 -77.82 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.774 HG12 HD13 ' A' ' 35' ' ' LEU . 94.7 t -121.31 -80.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.774 HD13 HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -59.52 177.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 7.8 t -96.39 -42.03 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 108.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ttm105 -171.76 90.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.41 122.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.437 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 3.2 tm0? -101.02 80.64 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 42' ' ' LEU . . . 89.71 40.94 5.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.522 HG22 ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -42.87 -26.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.746 HD12 HD13 ' A' ' 16' ' ' ILE . 14.2 mt -71.22 -65.1 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.583 ' CA ' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -47.26 -32.73 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' THR . 1.7 t0 -55.17 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.948 ' HB3' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -74.33 -17.09 60.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -91.49 3.49 54.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -29.31 -42.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.9 m-80 -78.55 127.8 79.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 93.05 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 153.69 23.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 123.0 7.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 58.56 58.53 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.8 t -40.94 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.4 25.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.948 HD21 ' HB3' ' A' ' 45' ' ' LEU . 3.1 mm? -106.83 33.86 3.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -28.83 13.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.0 m -59.85 -52.3 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 61' ' ' THR . . . -117.47 70.32 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -16.66 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -35.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 62' ' ' PHE . 7.4 t -73.91 -54.58 7.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.744 ' CE2' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -50.78 -51.95 45.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.598 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.7 ttt180 -54.41 -60.56 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.459 ' O ' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -37.24 -40.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.676 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.18 -60.83 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.628 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 2.7 m0 -46.57 -26.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 65' ' ' MET . 1.0 OUTLIER -63.32 -50.89 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.517 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -47.53 -50.61 23.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -65.84 -36.6 83.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.38 -41.78 94.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' GLN . 10.1 mm-40 -35.94 141.89 0.32 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' PHE . 18.6 Cg_endo -74.97 54.88 3.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 111.052 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER 38.02 30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' PRO . 10.2 t80 -46.67 -43.73 17.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.442 ' OE1' ' NE ' ' A' ' 33' ' ' ARG . 1.3 pm0 -110.51 60.82 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.38 59.45 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 75' ' ' GLN . 18.4 ptt? -179.17 -38.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' LEU . 20.7 m -44.94 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.464 ' HB1' HD12 ' A' ' 25' ' ' ILE . . . -69.78 61.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 1.7 tp -176.48 60.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER 162.52 168.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 78.26 139.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.13 50.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.97 141.12 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.1 t 65.14 102.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -76.45 164.66 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.16 111.6 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.0 -60.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.94 71.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.18 140.78 32.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.77 -170.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.252 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -74.84 173.77 10.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.7 161.45 36.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.4 t0 73.77 159.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -143.42 174.67 10.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.91 -161.73 9.06 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -175.25 171.3 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -139.37 139.06 21.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 99' ' ' THR . 18.3 Cg_endo -74.97 -169.3 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.37 130.94 55.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -156.36 169.83 9.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -165.35 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 63.4 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 tp -163.33 127.54 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.764 HG13 ' HB3' ' A' ' 142' ' ' SER . 0.4 OUTLIER -155.76 -87.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.664 ' N ' HG22 ' A' ' 106' ' ' VAL . 0.3 OUTLIER 33.01 84.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.932 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.475 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 4.6 m -104.12 172.6 6.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 108' ' ' THR . 8.1 t0 -90.39 -47.25 7.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 111' ' ' GLN . 10.9 p -51.24 -51.05 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.649 ' HA ' HD11 ' A' ' 133' ' ' ILE . 1.5 pp0? -53.07 -52.79 57.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.493 ' N ' ' CD ' ' A' ' 111' ' ' GLN . 40.6 ttp180 -53.45 -18.45 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -42.84 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.518 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 8.8 m -77.86 -48.08 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.074 HD21 HG22 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -47.7 -51.3 22.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.68 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 3.1 t-160 -59.98 -40.27 88.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -56.74 -18.71 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.719 HG12 HD21 ' A' ' 129' ' ' LEU . 0.7 OUTLIER -83.63 -36.94 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.829 ' CE2' ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -50.29 -28.19 7.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -78.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 175.52 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -152.81 -69.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 129' ' ' LEU . 21.1 mtmt -140.95 37.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HA ' HG23 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -40.29 -49.5 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.692 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.2 Cg_endo -75.04 -87.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.692 ' C ' ' O ' ' A' ' 125' ' ' PRO . 4.3 m 6.64 79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.632 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.2 OUTLIER -39.2 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 132' ' ' THR . 4.1 tp10 -70.06 -50.41 41.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 1.036 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -39.38 -52.48 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 1.036 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.8 OUTLIER -56.49 -42.7 78.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 127' ' ' LYS . 1.9 mp -81.88 -3.2 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 128' ' ' GLU . 35.8 m -90.03 -45.21 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -72.94 -42.15 60.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.669 ' HB3' HG23 ' A' ' 144' ' ' VAL . 2.1 p -67.52 -44.32 78.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 131' ' ' ILE . 61.2 tt0 -71.46 -32.39 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 132' ' ' THR . 54.8 tt0 -76.44 -45.38 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 38.16 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.715 ' C ' HD23 ' A' ' 139' ' ' LEU . . . 172.6 -117.56 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER 175.14 -35.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.39 -171.92 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.4 pp -100.42 -7.59 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.764 ' HB3' HG13 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -48.82 -61.06 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.659 HG23 ' HB2' ' A' ' 134' ' ' SER . 0.5 OUTLIER -40.08 -53.4 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 1.074 HG22 HD21 ' A' ' 115' ' ' LEU . 25.0 t -50.42 -41.84 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.84 -38.29 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.545 ' ND2' ' CD2' ' A' ' 107' ' ' PHE . 8.7 t-20 -51.21 -52.85 40.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.68 ' CE1' ' HA ' ' A' ' 116' ' ' HIS . 3.1 t80 -78.99 -67.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.741 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 4.7 m-30 -34.4 -42.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -71.67 -51.88 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -55.48 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.829 ' HB1' ' CE2' ' A' ' 119' ' ' PHE . . . -68.27 -70.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.923 HG23 HG21 ' A' ' 12' ' ' VAL . 1.5 mp 62.99 101.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.489 ' ND2' ' NE1' ' A' ' 52' ' ' TRP . 4.2 m120 -79.33 -174.39 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.782 HG22 HD21 ' A' ' 46' ' ' LEU . 1.2 m -95.3 -58.28 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.65 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -86.37 -44.38 12.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -22.1 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.923 HG21 HG23 ' A' ' 7' ' ' ILE . 1.2 t -72.51 -61.24 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.653 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -43.62 -56.0 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -28.17 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.57 -63.07 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.699 HG21 ' HG2' ' A' ' 65' ' ' MET . 3.3 mt -38.81 -39.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.745 ' HA ' HD11 ' A' ' 25' ' ' ILE . 2.3 m -61.55 -48.57 80.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 15' ' ' ARG . 88.9 m -90.78 -1.37 57.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.591 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -96.36 -27.85 14.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.904 HD21 ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -85.4 -93.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -80.42 -6.95 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.612 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 84.56 -18.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.259 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER 167.87 38.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -170.97 63.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 17' ' ' THR . 38.9 mm -59.23 115.93 14.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLN . 18.1 Cg_endo -75.0 83.65 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.599 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 2.9 mp0 -38.02 -42.5 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -63.67 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.664 HG21 ' HA ' ' A' ' 79' ' ' ALA . 39.7 mm -57.44 -57.08 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.904 ' CE1' HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.69 -17.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -92.71 -34.42 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -92.13 -0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CZ ' ' OG ' ' A' ' 78' ' ' SER . 0.1 OUTLIER -91.52 -78.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.646 HG13 HD22 ' A' ' 35' ' ' LEU . 7.2 p -123.24 -58.79 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.646 HD22 HG13 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -61.52 166.6 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.57 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -90.36 -49.27 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 89.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -170.85 139.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -103.81 64.21 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' THR . . . 99.35 34.54 5.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.541 ' OG1' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -34.63 -36.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.922 HD21 ' CD1' ' A' ' 62' ' ' PHE . 1.8 mt -39.44 -49.33 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -45.01 71.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -49.14 -59.42 3.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.652 HD12 HD12 ' A' ' 46' ' ' LEU . 1.3 pp -61.33 -21.06 63.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.782 HD21 HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -87.35 1.73 52.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -41.42 -28.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 46' ' ' LEU . 7.2 p-10 -86.95 152.8 54.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 0.0 OUTLIER -156.55 85.89 3.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.79 11.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.532 1.807 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.489 ' NE1' ' ND2' ' A' ' 8' ' ' ASN . 5.4 m0 54.53 53.79 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 107.998 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.641 ' H ' HG21 ' A' ' 9' ' ' THR . 31.1 t -90.12 -41.61 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 75.75 17.81 2.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER 39.43 68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -47.96 -44.6 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 m -97.0 59.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.52 55.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.53 -43.36 56.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.3 -32.92 51.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.657 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -58.64 -66.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.922 ' CD1' HD21 ' A' ' 42' ' ' LEU . 2.0 m-85 -43.09 -52.97 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' TRP . 10.7 ttm180 -54.48 -54.59 38.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -36.63 -42.19 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.699 ' HG2' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.38 -47.77 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.77 ' CZ2' HG21 ' A' ' 7' ' ' ILE . 2.6 m0 -54.71 -30.45 56.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.065 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -60.97 -54.13 48.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.621 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.1 t90 -46.74 -52.42 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.525 ' CD2' HD13 ' A' ' 20' ' ' LEU . 3.5 mt -50.45 -47.76 56.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -71.76 -75.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 60.4 136.15 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 71' ' ' GLU . 18.5 Cg_endo -74.97 63.32 5.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 39.09 73.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.07 36.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' NE2' ' CH2' ' A' ' 68' ' ' TRP . 0.3 OUTLIER -112.13 -24.36 9.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -71.0 60.24 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -173.12 -40.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.494 ' OG ' ' CZ ' ' A' ' 33' ' ' ARG . 15.1 m -75.76 -72.92 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.664 ' HA ' HG21 ' A' ' 29' ' ' ILE . . . -41.87 127.54 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.65 94.81 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.77 125.6 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 85' ' ' CYS . 1.6 tt -93.96 88.33 5.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 125' ' ' PRO . . . -87.55 58.32 4.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.78 84.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.452 ' HB2' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER 179.78 150.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 108.269 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.71 -61.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 73.21 -63.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.75 64.45 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.56 172.58 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.16 167.48 19.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.242 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.9 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.2 m80 64.82 169.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.605 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 54.16 170.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.99 127.72 27.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 0.8 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -123.58 -60.46 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? 69.22 159.6 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.18 120.97 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.11 171.13 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 99' ' ' THR . 15.4 t -123.2 111.32 30.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.2 27.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -135.36 160.48 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.79 158.54 80.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 179.95 5.61 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -178.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.88 97.95 6.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 143' ' ' THR . 88.4 t -121.11 -88.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 106' ' ' VAL . 32.5 m-85 32.76 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 111' ' ' GLN . 9.5 t -106.11 175.29 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -92.02 -46.87 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.523 ' HB ' HD22 ' A' ' 137' ' ' LEU . 15.9 m -40.46 -49.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.971 ' NE2' HG21 ' A' ' 143' ' ' THR . 0.0 OUTLIER -70.08 -55.33 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.468 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 5.2 ptt180 -54.08 -16.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -82.01 -39.92 22.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.559 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 16.3 m -74.6 -55.86 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.373 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.028 HD22 ' CE2' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -55.12 -36.15 65.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.623 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 30.6 t-80 -67.11 -31.68 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.16 -18.15 61.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.96 HG13 HD11 ' A' ' 129' ' ' LEU . 0.9 OUTLIER -75.98 -44.7 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.3 OUTLIER -41.74 -27.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 118' ' ' ILE . 10.4 mmtt -68.5 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -179.25 104.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.412 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -155.34 -62.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.672 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -160.13 41.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 18.6 mtm180 -58.17 -42.63 95.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -75.01 56.43 4.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 m -153.41 105.89 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.44 80.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -30.79 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.96 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -61.5 -53.72 52.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.573 ' HG3' ' CE2' ' A' ' 148' ' ' PHE . 0.4 OUTLIER -49.68 -36.16 24.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.425 HG13 ' NE2' ' A' ' 130' ' ' GLN . 1.1 mp -83.56 -24.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 129' ' ' LEU . 49.7 m -68.05 -48.47 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.84 HG21 ' HG ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -66.16 -44.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 139' ' ' LEU . 2.2 p -58.59 -40.29 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -80.54 -21.14 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -62.42 -42.17 99.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.523 HD22 ' HB ' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -126.37 23.54 6.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . 177.31 -120.42 0.73 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 168.85 -32.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -76.8 146.59 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.17 -6.83 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.491 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 12.9 m -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.971 HG21 ' NE2' ' A' ' 111' ' ' GLN . 15.2 p -65.72 -49.19 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.768 ' HA ' HD12 ' A' ' 115' ' ' LEU . 47.8 t -41.62 -53.72 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -52.48 -44.88 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 145' ' ' SER . 20.1 t-20 -36.77 -49.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 1.028 ' CE2' HD22 ' A' ' 115' ' ' LEU . 6.3 t80 -91.65 -69.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 130' ' ' GLN . 1.2 m-30 -34.5 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.2 OUTLIER -87.58 -49.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 147' ' ' PHE . 9.0 t30 -65.09 -45.99 82.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.742 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -79.44 -62.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.554 HG21 ' CZ3' ' A' ' 66' ' ' TRP . 0.9 OUTLIER -78.27 -27.47 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.605 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER 74.92 161.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.704 HG21 ' HA ' ' A' ' 52' ' ' TRP . 11.6 p -102.3 -39.13 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 50' ' ' LYS . 25.8 tttt -90.35 -49.2 6.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 8' ' ' ASN . 2.2 mt-10 -60.2 -30.3 69.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.746 HG21 ' NE1' ' A' ' 66' ' ' TRP . 6.3 p -67.46 -47.61 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.745 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -50.15 -58.65 5.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -62.59 -45.38 93.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 1.3 mtp85 -51.85 -32.65 32.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 13' ' ' ALA . 9.4 mt -65.52 -63.34 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -55.29 -25.67 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -91.08 -19.58 22.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 15' ' ' ARG . 2.4 mm-40 -93.82 -16.39 24.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.854 ' HB3' HD13 ' A' ' 25' ' ' ILE . 1.2 mt -90.22 -93.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -91.46 1.15 57.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 88.02 -24.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 164.48 37.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 178.24 72.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.854 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -91.49 140.85 25.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.06 85.71 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.718 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.18 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -60.68 -51.23 70.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.941 HG23 ' HB3' ' A' ' 79' ' ' ALA . 11.1 mt -76.14 -44.28 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.3 t80 -66.94 -4.65 10.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -91.16 -52.08 5.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -87.55 0.4 55.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.96 ' NE ' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -77.73 -66.81 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.705 HG22 ' NE ' ' A' ' 76' ' ' ARG . 90.2 t -120.33 -73.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.615 HD23 ' CB ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -109.51 149.51 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -51.82 65.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.337 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.818 ' HB3' HG21 ' A' ' 41' ' ' THR . 9.0 mmt85 -59.96 150.25 29.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 48.8 m -167.81 -178.35 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 78.31 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.09 31.3 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.818 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -51.76 -20.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.458 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.818 HD13 ' SD ' ' A' ' 65' ' ' MET . 1.1 mp -66.14 -54.33 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.425 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -56.55 -17.67 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' OD1' ' CA ' ' A' ' 93' ' ' GLY . 0.3 OUTLIER -69.77 -56.81 6.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -79.64 -15.63 57.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 62' ' ' PHE . 3.1 mm? -91.53 -6.53 52.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.4 ttt180 -38.18 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.508 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -59.04 178.24 0.22 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.02 58.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.575 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER 31.69 56.53 1.07 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.575 ' HD3' ' N ' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 16.23 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.704 ' HA ' HG21 ' A' ' 9' ' ' THR . 5.3 m-90 71.28 40.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' TRP . 3.2 t -36.74 -66.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 69.84 18.34 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.17 HD23 ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm? 38.3 74.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -62.42 -32.51 73.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -84.48 50.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.77 58.91 0.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -50.18 -29.65 9.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.15 -29.71 2.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.9 m -66.53 -61.41 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 1.17 ' CD1' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -42.46 -54.04 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.7 ttt-85 -64.84 -54.92 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.65 ' O ' HG11 ' A' ' 34' ' ' VAL . 6.4 mtt180 -36.95 -38.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.818 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -68.17 -51.62 43.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.746 ' NE1' HG21 ' A' ' 12' ' ' VAL . 2.0 m0 -54.96 -24.61 24.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . 2.2 mttt -76.18 -31.05 58.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.653 ' CE3' HD22 ' A' ' 20' ' ' LEU . 5.8 t90 -62.39 -44.07 97.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD22 HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.31 -20.78 29.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 67' ' ' LYS . 3.1 tp60 -50.9 -61.82 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 70' ' ' GLN . 22.8 mm-40 -37.17 152.44 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -74.94 52.88 3.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER 34.29 81.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.453 ' N ' ' SD ' ' A' ' 77' ' ' MET . 3.7 t80 -167.59 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.45 ' NE2' ' CZ ' ' A' ' 33' ' ' ARG . 1.2 tm0? -96.2 -63.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.705 ' NE ' HG22 ' A' ' 34' ' ' VAL . 2.2 mtt180 -82.92 74.86 9.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.565 ' HA ' ' CH2' ' A' ' 68' ' ' TRP . 0.0 OUTLIER 179.57 -36.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.452 ' N ' ' HE2' ' A' ' 77' ' ' MET . 12.8 p -109.42 29.0 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.96 ' HB2' ' NE ' ' A' ' 33' ' ' ARG . . . -44.38 129.0 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.33 125.43 34.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.59 -69.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.3 mt -142.52 -178.58 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.35 -68.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.9 157.96 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.2 p -178.0 -176.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp 69.48 142.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.6 127.51 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -76.68 123.56 26.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.83 75.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -48.51 129.03 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -148.93 128.3 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -124.75 122.28 37.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.594 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' CA ' ' OD1' ' A' ' 44' ' ' ASP . . . 46.78 -173.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.413 1.07 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.33 107.44 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 176.21 107.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.8 169.04 25.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 170.46 137.1 2.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -178.49 164.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.9 p -140.11 88.88 11.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.41 42.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.786 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -133.56 132.79 41.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.95 154.64 30.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.9 4.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -132.34 152.44 51.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.449 HD21 ' HD2' ' A' ' 107' ' ' PHE . 1.0 OUTLIER 62.48 130.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 107' ' ' PHE . 14.5 m -137.96 -52.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.449 ' HD2' HD21 ' A' ' 105' ' ' LEU . 0.4 OUTLIER 37.01 80.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 110' ' ' VAL . 35.7 m -107.96 152.17 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.52 -38.35 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.692 HG11 HD22 ' A' ' 137' ' ' LEU . 58.4 t -59.12 -46.81 91.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.82 ' HA ' HD11 ' A' ' 133' ' ' ILE . 0.7 OUTLIER -67.75 -58.63 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.788 HH21 ' CG ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -50.38 -21.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.21 -37.67 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.547 HG21 HG12 ' A' ' 133' ' ' ILE . 30.9 m -67.86 -59.59 3.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 133' ' ' ILE . 3.3 tp -56.45 -45.86 80.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.788 ' CG ' HH21 ' A' ' 112' ' ' ARG . 20.8 t-80 -53.79 -28.72 36.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -79.21 -21.6 46.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.536 HG13 HD11 ' A' ' 129' ' ' LEU . 27.5 mm -70.87 -45.24 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.5 t80 -38.31 -35.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -56.19 -68.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.8 mt-10 165.99 101.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -154.01 -70.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.7 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -139.47 15.54 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 1.3 ttp180 -34.51 -53.55 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.98 67.77 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 123' ' ' LYS . 36.6 m -165.05 89.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.6 OUTLIER -48.82 -32.91 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -37.09 86.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.7 HD13 ' CB ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -61.39 -52.49 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.762 ' HG3' HG11 ' A' ' 144' ' ' VAL . 3.3 tm0? -46.46 -35.92 6.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 127' ' ' LYS . 5.5 mt -86.17 -24.6 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 129' ' ' LEU . 97.9 m -68.09 -47.85 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.832 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -65.37 -45.9 91.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 139' ' ' LEU . 1.0 OUTLIER -63.54 -36.92 85.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -84.65 -8.32 58.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -46.52 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.692 HD22 HG11 ' A' ' 110' ' ' VAL . 1.9 mp -127.59 28.5 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.495 ' O ' HD23 ' A' ' 139' ' ' LEU . . . -171.03 -121.3 0.58 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.55 HD12 ' HG2' ' A' ' 140' ' ' GLU . 0.5 OUTLIER 170.92 -40.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.55 ' HG2' HD12 ' A' ' 139' ' ' LEU . 43.1 mm-40 -78.85 161.0 27.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 141' ' ' LEU . 0.6 OUTLIER -86.54 0.43 54.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -56.67 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 144' ' ' VAL . 2.3 t -52.6 -52.89 53.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.762 HG11 ' HG3' ' A' ' 130' ' ' GLN . 62.9 t -41.64 -46.9 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.27 -44.26 75.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 143' ' ' THR . 0.1 OUTLIER -42.35 -45.51 4.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.595 ' CD1' ' HA ' ' A' ' 116' ' ' HIS . 1.2 t80 -90.34 -71.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.716 ' CD1' HG13 ' A' ' 144' ' ' VAL . 5.0 m-85 -34.3 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -82.55 -51.68 7.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 147' ' ' PHE . 28.1 t30 -62.99 -47.95 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.595 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -77.54 -66.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.756 ' C ' HG23 ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER 70.68 -45.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.578 ' HB2' HD12 ' A' ' 7' ' ' ILE . 2.6 m-20 157.27 166.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.602 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . 60.5 p -103.21 -46.45 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.65 -39.38 9.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -30.19 69.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.778 HG23 HG12 ' A' ' 7' ' ' ILE . 7.1 p -67.17 -55.02 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.756 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -45.28 -40.32 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -78.34 -36.53 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -63.37 -30.22 71.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.821 HD13 ' HG2' ' A' ' 65' ' ' MET . 6.0 mt -69.96 -52.91 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.711 HG22 ' HA ' ' A' ' 23' ' ' TYR . 89.2 m -69.71 -21.6 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 m -91.57 -27.76 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 7.3 tt0 -85.65 -54.91 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.763 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -46.15 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 2.4 tmtt? -90.21 -57.67 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.57 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 157.79 -23.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.711 ' HA ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER 170.92 37.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER 164.91 75.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.038 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.718 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -67.39 137.95 93.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.639 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.4 Cg_endo -74.96 106.38 2.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ALA . 5.3 mp0 -35.02 -68.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -31.97 -50.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' ' 26' ' ' PRO . 1.6 mp -59.5 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -60.92 -10.83 6.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 36' ' ' CYS . . . -92.41 -36.31 13.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -91.98 -12.31 33.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' HG2' ' NE1' ' A' ' 68' ' ' TRP . 5.6 mpt_? -79.47 -82.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG13 HD13 ' A' ' 35' ' ' LEU . 10.1 p -123.43 -54.87 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD22 ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -69.48 169.98 11.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.659 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 1.4 t -95.49 -40.41 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.12 92.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 m -166.28 131.94 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.462 ' OE1' ' CG ' ' A' ' 27' ' ' GLN . 6.9 pm0 -127.62 69.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.33 28.95 6.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.601 HG22 ' HE2' ' A' ' 65' ' ' MET . 1.8 t -50.94 -19.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.625 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mp -69.12 -52.12 31.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -20.51 13.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.982 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -59.05 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -68.37 -20.32 64.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.692 HD21 ' CE1' ' A' ' 62' ' ' PHE . 2.8 mm? -85.48 -20.75 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -39.52 -35.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.403 ' ND2' ' HD3' ' A' ' 50' ' ' LYS . 33.8 p30 -66.04 146.38 99.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 70.93 5.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HD3' ' ND2' ' A' ' 48' ' ' ASN . 2.5 mtpp -133.37 90.06 30.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 126.8 10.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.515 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 0.6 OUTLIER 70.69 50.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 4.7 t -84.37 -60.65 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.596 ' HZ3' ' N ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER 90.04 43.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.715 HD23 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 38.21 55.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -26.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 55' ' ' LEU . 12.5 m -100.16 62.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.82 61.87 0.51 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -34.11 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -47.91 -42.97 28.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 64' ' ' ARG . 3.0 m -53.59 -55.75 23.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.715 ' CE1' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -45.53 -35.97 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.517 ' HA ' ' CE3' ' A' ' 66' ' ' TRP . 1.5 ttp85 -76.39 -31.25 57.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.517 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -61.4 -33.62 73.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.821 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.27 -58.63 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.762 ' NE1' HG21 ' A' ' 12' ' ' VAL . 3.7 m0 -46.63 -27.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -64.88 -53.34 48.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.693 ' CE3' ' CD1' ' A' ' 20' ' ' LEU . 2.8 t90 -47.09 -49.49 21.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.0 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.763 HD23 ' CD1' ' A' ' 20' ' ' LEU . 22.2 mt -54.7 -40.55 69.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -79.07 -77.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER 66.66 165.78 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.77 7.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -171.2 -76.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -174.4 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' NE2' ' HD2' ' A' ' 33' ' ' ARG . 2.2 mm-40 68.72 81.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' MET . 0.0 OUTLIER 71.75 18.37 5.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 0.2 OUTLIER 83.36 -46.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.0 p 178.32 81.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.469 ' CB ' HG21 ' A' ' 29' ' ' ILE . . . 56.96 -159.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tt -125.03 -71.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 175.15 143.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.12 178.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 126' ' ' SER . . . -177.38 -62.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -120.42 167.38 12.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.4 p -163.2 132.14 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.331 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -177.75 6.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.91 136.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.83 174.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.67 133.1 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 62.53 103.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -112.28 -40.26 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.1 m170 61.53 96.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.46 173.47 49.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.57 110.65 23.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -173.78 -59.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.03 156.91 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.8 110.36 0.25 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -174.25 159.79 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.21 111.06 0.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 172.77 15.72 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.766 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 144.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.52 156.93 31.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 134.05 17.45 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 173.81 153.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.24 97.31 5.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.698 HG22 ' N ' ' A' ' 107' ' ' PHE . 1.0 OUTLIER -60.01 -92.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.698 ' N ' HG22 ' A' ' 106' ' ' VAL . 0.4 OUTLIER 56.53 76.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 m -117.99 171.61 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.48 -42.04 11.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.2 t -50.1 -51.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.698 ' HA ' HD11 ' A' ' 133' ' ' ILE . 6.4 mt-30 -64.23 -57.35 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 3.9 tmm_? -44.13 -26.69 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 111' ' ' GLN . 5.1 mtp180 -76.32 -43.5 40.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.546 HG21 HG12 ' A' ' 133' ' ' ILE . 39.4 m -61.12 -61.89 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.883 HD13 HG21 ' A' ' 133' ' ' ILE . 4.2 tp -55.1 -41.48 71.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 41.7 t60 -53.89 -27.99 33.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.597 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.39 -22.2 30.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.737 HG13 HD21 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -66.68 -44.67 89.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.573 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.3 t80 -40.81 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -50.33 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 1.1 pt-20 161.67 111.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 118' ' ' ILE . 17.0 t30 -176.55 -76.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.661 ' O ' HD12 ' A' ' 129' ' ' LEU . 18.1 mmtt -133.36 35.36 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 63.6 mtm180 -56.34 -41.18 89.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.96 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.528 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.0 m -27.6 92.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.3 mmtt -46.89 -32.78 4.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 131' ' ' ILE . 21.1 tp10 -66.07 -54.24 28.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -42.16 -45.57 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 1.008 ' N ' HD13 ' A' ' 129' ' ' LEU . 11.3 tt0 -55.12 -43.1 73.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' GLU . 19.1 mm -84.06 -11.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' GLU . 67.7 m -75.76 -43.12 48.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.883 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.81 -47.3 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.578 ' HA ' HG21 ' A' ' 143' ' ' THR . 1.0 OUTLIER -56.32 -38.23 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -84.43 -27.79 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.635 ' HB3' HD22 ' A' ' 137' ' ' LEU . 2.8 tp-100 -47.26 -50.41 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.7 OUTLIER -113.73 -26.21 8.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 134' ' ' SER . . . -115.66 -136.05 5.88 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.48 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.564 ' CB ' HG12 ' A' ' 106' ' ' VAL . 0.4 OUTLIER -76.58 -179.44 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 141' ' ' LEU . 1.5 pp -100.49 2.95 42.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.443 ' HB3' ' N ' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -49.77 -59.72 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.003 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.578 HG21 ' HA ' ' A' ' 134' ' ' SER . 1.4 t -48.67 -57.07 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.748 HG13 ' CD1' ' A' ' 148' ' ' PHE . 62.2 t -40.75 -41.57 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.6 OUTLIER -58.94 -47.43 85.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 143' ' ' THR . 28.4 t-20 -43.13 -42.82 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.647 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.4 t80 -87.59 -73.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.748 ' CD1' HG13 ' A' ' 144' ' ' VAL . 7.0 m-85 -35.17 -33.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -79.69 -53.29 6.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -65.11 -49.29 70.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.647 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -70.53 -64.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.811 HG23 HG21 ' A' ' 12' ' ' VAL . 2.6 mp 62.52 94.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.415 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 1.1 t30 -79.57 -165.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.751 ' O ' HD21 ' A' ' 46' ' ' LEU . 1.8 m -103.99 -55.88 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.9 ttpt -82.35 -49.96 9.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -57.51 -25.28 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.811 HG21 HG23 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -77.67 -59.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.552 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -45.73 -53.66 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' THR . 3.1 mm-40 -62.97 -25.51 68.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -63.99 -65.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.74 HD13 ' HG2' ' A' ' 65' ' ' MET . 2.5 mp -46.77 -29.03 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.654 ' HA ' HD11 ' A' ' 25' ' ' ILE . 1.1 m -69.1 -49.87 53.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -90.34 -1.46 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -92.55 -56.37 3.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.764 HD11 ' CE3' ' A' ' 68' ' ' TRP . 1.8 mp -55.57 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 21' ' ' LYS . 3.4 tmtt? -87.99 -63.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.594 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 160.21 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 3.6 m-85 -179.89 33.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.2 m -162.62 65.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.664 HD11 ' O ' ' A' ' 16' ' ' ILE . 24.3 mm -57.4 116.09 12.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HB2' ' CG1' ' A' ' 29' ' ' ILE . 18.4 Cg_endo -74.91 96.02 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.4 ' CA ' ' HB3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -51.22 -43.08 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.09 64.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.525 HG22 ' HG3' ' A' ' 33' ' ' ARG . 28.6 mm -84.39 -55.02 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -64.47 -9.66 20.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . . . -90.15 -42.35 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -92.14 -4.39 54.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HG3' HG22 ' A' ' 29' ' ' ILE . 12.2 mmt-85 -88.75 -81.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -123.16 -61.83 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.62 ' CD2' ' HE3' ' A' ' 65' ' ' MET . 3.2 mp -59.36 154.09 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -57.58 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' HA ' ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -171.78 88.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.9 p -171.54 124.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 pp0? -107.77 71.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' SER . . . 112.97 30.0 2.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -27.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.736 ' O ' HD13 ' A' ' 46' ' ' LEU . 20.0 mt -67.02 -49.65 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLY . 23.9 m -65.84 -11.65 48.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' HA ' ' CA ' ' A' ' 93' ' ' GLY . 17.5 m-20 -90.93 -41.11 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 45' ' ' LEU . 1.1 tm? -82.57 -19.66 38.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.751 HD21 ' O ' ' A' ' 9' ' ' THR . 6.3 mp -80.95 -2.7 48.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -37.94 -38.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' CE ' ' A' ' 50' ' ' LYS . 14.2 p30 -77.3 135.31 65.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.9 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.546 ' CE ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -147.5 119.25 4.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.32 9.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.5 m0 66.45 59.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.596 ' H ' HG21 ' A' ' 9' ' ' THR . 41.0 t -74.9 -10.65 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 40.03 32.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.917 HD23 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 41.95 75.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.65 -45.1 18.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.52 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -146.91 97.99 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -45.91 -35.65 4.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -49.29 -32.24 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.8 m -59.21 -65.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.444 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.917 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -39.54 -43.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 64' ' ' ARG . 6.2 ttt180 -62.22 -60.27 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -37.23 -33.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -71.88 -54.64 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.668 ' CH2' HG21 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -57.15 -24.83 57.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.9 -48.05 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.778 ' CZ2' ' HB2' ' A' ' 79' ' ' ALA . 2.9 t90 -51.07 -49.84 59.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.64 HD23 ' CD1' ' A' ' 20' ' ' LEU . 29.3 mt -47.0 -45.97 21.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -85.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 61.17 133.56 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.2 Cg_endo -75.02 46.78 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER 28.19 89.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.77 -66.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.459 ' CG ' ' HD3' ' A' ' 33' ' ' ARG . 5.2 pt20 -48.29 -58.69 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER 176.66 -32.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 41.0 52.2 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.65 -48.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.778 ' HB2' ' CZ2' ' A' ' 68' ' ' TRP . . . 46.52 93.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.251 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.5 -178.81 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -134.85 -173.75 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.652 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.4 mp -95.68 -171.84 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.67 174.36 9.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 61.81 158.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.6 p -109.5 171.3 7.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -174.76 96.35 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 66.31 140.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -112.49 -64.56 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 63.35 130.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -139.15 140.01 37.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -141.65 176.58 8.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.89 166.31 10.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.574 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.4 ' CA ' ' HA ' ' A' ' 44' ' ' ASP . . . -54.53 -168.41 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt 54.49 -176.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -46.88 152.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -140.49 172.4 12.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.57 -134.07 1.66 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -160.82 -56.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.244 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.4 m 63.5 86.36 0.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.25 166.77 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.11 90.12 35.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -175.75 2.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.97 175.09 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.13 105.04 7.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 107' ' ' PHE . 21.5 m -108.37 -54.5 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.567 ' N ' HG23 ' A' ' 106' ' ' VAL . 7.5 m-85 39.87 67.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 m -96.4 151.85 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.37 -32.27 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.31 -45.41 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.826 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.4 mp0 -67.96 -58.59 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.2 OUTLIER -53.98 -24.03 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -71.49 -37.53 71.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.484 ' HB ' HD11 ' A' ' 133' ' ' ILE . 7.5 m -70.06 -59.37 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 133' ' ' ILE . 10.5 tp -56.11 -47.38 78.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.592 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 16.3 t60 -48.23 -39.9 22.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -62.59 -32.14 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.795 HD13 ' HB2' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -69.59 -20.18 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.614 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 7.9 t80 -52.52 -19.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.76 66.48 1.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.795 ' HB2' HD13 ' A' ' 118' ' ' ILE . 0.7 OUTLIER -149.7 -80.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 0.8 OUTLIER 159.35 66.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.567 ' O ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER 165.38 48.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 10.1 mtm105 -79.91 -40.83 1.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.4 Cg_endo -74.97 -95.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 125' ' ' PRO . 2.2 m 26.57 85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.824 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -44.84 -26.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 126' ' ' SER . 8.3 tp10 -72.6 -41.72 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -61.68 -61.87 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.416 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 4.0 pt20 -40.13 -40.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.824 HD12 ' O ' ' A' ' 127' ' ' LYS . 9.9 mt -78.89 -35.94 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 129' ' ' LEU . 54.6 m -57.93 -58.8 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.826 HD11 ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -51.11 -57.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.561 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -49.21 -58.49 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' ' 135' ' ' GLN . 4.9 tt0 -56.46 -30.1 62.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.878 ' HB3' HD22 ' A' ' 137' ' ' LEU . 10.6 tt0 -50.28 -60.03 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.878 HD22 ' HB3' ' A' ' 136' ' ' GLN . 0.3 OUTLIER -114.89 27.24 9.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' LEU . . . -179.59 -125.8 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.542 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER 160.71 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.259 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 134' ' ' SER . 3.1 tp10 176.44 166.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.237 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 pp -92.82 0.38 57.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.417 ' CB ' HG22 ' A' ' 106' ' ' VAL . 0.4 OUTLIER -61.27 -63.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.978 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 2.8 t -46.84 -47.08 21.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.641 ' CG1' ' CD2' ' A' ' 148' ' ' PHE . 66.2 t -44.69 -51.82 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -55.62 -32.65 63.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 143' ' ' THR . 19.8 t-20 -52.55 -49.92 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.626 ' CE1' ' HB3' ' A' ' 151' ' ' ALA . 0.2 OUTLIER -87.92 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.641 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 3.7 m-30 -33.48 -36.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 147' ' ' PHE . 0.0 OUTLIER -88.18 -51.64 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 146' ' ' ASN . 4.0 m-20 -55.54 -41.6 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.626 ' HB3' ' CE1' ' A' ' 147' ' ' PHE . . . -89.63 -75.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.62 ' CG2' ' CZ3' ' A' ' 66' ' ' TRP . 2.9 mp 40.21 86.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.443 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 32.3 m-80 -116.07 -172.89 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.69 ' HA ' ' CZ ' ' A' ' 62' ' ' PHE . 22.3 p -104.18 -56.4 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.364 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -92.36 -38.02 12.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -70.22 -24.05 63.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -78.22 -50.82 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HB1' ' N ' ' A' ' 43' ' ' SER . . . -44.09 -52.29 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -27.37 66.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -67.6 -64.52 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.809 HD13 HD12 ' A' ' 42' ' ' LEU . 3.7 mt -39.03 -44.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 23' ' ' TYR . 53.9 m -56.15 -48.43 76.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.637 HG23 ' HD2' ' A' ' 22' ' ' ARG . 23.6 m -90.76 -1.16 57.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -91.34 -52.8 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.841 ' HB3' HD13 ' A' ' 25' ' ' ILE . 1.8 mm? -55.08 -87.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 4.7 tmtm? -90.93 -61.78 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HD2' HG23 ' A' ' 18' ' ' THR . 4.0 tpt85 166.57 -28.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER 170.84 36.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m 174.6 73.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.841 HD13 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.19 140.62 49.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.507 ' HD2' HD12 ' A' ' 25' ' ' ILE . 18.1 Cg_endo -75.01 90.58 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 5.8 mp0 -41.55 -28.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -61.13 -45.86 92.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -78.95 -51.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.617 ' CZ ' ' CE ' ' A' ' 65' ' ' MET . 0.6 OUTLIER -56.13 -14.51 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.63 -39.04 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -92.57 3.03 56.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' CD ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -89.57 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 64' ' ' ARG . 74.6 t -117.17 -85.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.815 HD23 ' HB3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -90.79 176.4 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -93.55 -44.06 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.31 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.56 ' HB3' HG21 ' A' ' 41' ' ' THR . 12.7 mtt-85 -64.55 112.23 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -116.6 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 71.9 46.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 49.85 41.26 35.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.56 HG21 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -37.99 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 46' ' ' LEU . 17.2 mt -56.66 -64.05 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -41.78 -50.09 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' HB3' ' CA ' ' A' ' 93' ' ' GLY . 80.8 m-20 -50.13 -61.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.854 HD13 ' O ' ' A' ' 45' ' ' LEU . 2.9 tm? -58.08 -23.29 54.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -84.82 4.92 30.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -32.34 -38.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' LEU . 7.0 p-10 -85.22 143.35 39.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 100.77 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -140.89 107.29 6.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 128.61 11.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.529 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 13.0 m0 47.73 52.02 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 6.7 t -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.562 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER 91.93 32.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.846 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER 39.85 74.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -40.19 -40.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.63 -53.46 30.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.64 105.78 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -62.88 -15.66 55.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.9 p -49.54 -53.56 22.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.69 ' CZ ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -50.14 -62.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -57.8 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.815 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -41.53 -35.26 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.767 ' SD ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -72.06 -56.82 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.62 ' CZ3' ' CG2' ' A' ' 7' ' ' ILE . 1.8 m0 -54.85 -22.71 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 107.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -44.8 71.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CD2' HD11 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -50.04 -53.6 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.737 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.11 -39.86 83.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -57.37 10.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -39.29 154.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.85 4.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.28 100.81 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -112.64 45.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 64.84 76.88 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.57 -57.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -40.72 51.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 m -150.94 -69.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.57 112.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 80' ' ' LEU . 5.8 tp -150.39 153.44 36.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.84 124.36 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 pp -159.6 120.55 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 66.63 163.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 83' ' ' ALA . . . 74.43 -66.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 42.42 85.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 108.337 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -43.73 155.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -141.65 166.19 25.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.42 122.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -173.35 122.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.339 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.41 133.57 21.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.593 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 0.9 OUTLIER -172.25 166.85 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 91' ' ' GLU . 30.8 m170 -152.26 137.18 17.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.567 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' ' 44' ' ' ASP . . . 62.15 -170.9 10.76 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' GLY . 1.6 tttp -38.93 142.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 94' ' ' LYS . 3.4 p-10 -39.82 128.44 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -178.18 85.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -172.85 -175.73 40.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -166.64 171.4 11.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.5 m -157.92 109.48 1.76 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -174.12 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.56 -177.92 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.06 111.43 0.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 170.77 19.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.85 -176.67 2.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tp -145.65 115.59 7.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.759 HG22 ' N ' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -112.04 -78.66 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.759 ' N ' HG22 ' A' ' 106' ' ' VAL . 2.3 t80 51.38 84.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 m -118.47 166.6 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.07 -37.7 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.33 -51.14 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.546 ' O ' HD11 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -57.16 -61.0 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 0.0 OUTLIER -45.6 -32.43 2.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.484 ' HB ' ' CG1' ' A' ' 133' ' ' ILE . 49.8 m -68.72 -60.61 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.838 HD22 HG22 ' A' ' 144' ' ' VAL . 6.6 tp -57.14 -43.65 82.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.641 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 6.4 t-80 -51.81 -33.95 37.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.63 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.66 -22.79 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.957 HG13 HD11 ' A' ' 129' ' ' LEU . 0.1 OUTLIER -69.46 -40.12 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.641 ' CD2' ' HB1' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -42.73 -32.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.9 mttm -49.23 -65.86 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.1 mt-10 162.89 107.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.25 -65.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.934 ' CB ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -148.8 47.03 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.611 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 26.9 mtm105 -52.5 -43.95 93.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.644 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.3 Cg_endo -74.99 -90.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.644 ' C ' ' O ' ' A' ' 125' ' ' PRO . 14.4 m 15.02 75.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 126' ' ' SER . 2.0 mmtm -39.68 -34.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.86 -50.74 65.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.957 HD11 HG13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -44.19 -56.74 3.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.693 ' HG3' HG21 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -43.75 -46.59 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.0 mt -74.85 -26.05 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' ' 129' ' ' LEU . 6.8 m -65.06 -53.08 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.744 HG21 HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -61.01 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.541 ' HA ' HG21 ' A' ' 143' ' ' THR . 1.0 OUTLIER -48.63 -55.56 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.78 -24.29 66.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.0 tt0 -51.35 -57.85 7.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 mp -116.86 14.46 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.358 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.805 ' O ' HD23 ' A' ' 139' ' ' LEU . . . -147.27 -143.13 3.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 138' ' ' GLY . 12.0 mt -151.03 -46.73 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.514 ' CB ' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -88.23 177.69 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.74 1.4 50.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.421 ' HB2' HG13 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -44.33 -54.48 5.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.541 HG21 ' HA ' ' A' ' 134' ' ' SER . 1.2 t -51.1 -54.62 23.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.838 HG22 HD22 ' A' ' 115' ' ' LEU . 57.4 t -44.39 -43.66 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.4 OUTLIER -56.18 -40.8 74.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 143' ' ' THR . 55.0 t-20 -49.81 -54.08 21.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.6 t80 -73.99 -65.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 115' ' ' LEU . 3.8 m-85 -40.0 -27.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 145' ' ' SER . 1.8 ttp -87.71 -53.52 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -44.2 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.692 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -78.48 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 148' ' ' PHE . 46.7 ttt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.573 HG21 ' CE2' ' A' ' 66' ' ' TRP . 1.3 tp -156.45 121.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.01 179.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.73 ' O ' HD21 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -101.41 -44.86 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.636 ' HA ' HD23 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -91.89 -36.31 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.59 78.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 16' ' ' ILE . 5.4 p -68.46 -44.46 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 42' ' ' LEU . . . -59.54 -59.08 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -26.75 66.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 19' ' ' GLU . 16.3 ttt180 -67.5 -64.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.4 mt -40.74 -32.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 23' ' ' TYR . 1.1 m -68.03 -48.84 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' ARG . 8.7 m -89.18 -1.43 58.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.05 -41.14 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.029 HD23 HD13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -76.42 -87.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.3 tmtt? -79.72 -67.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 166.43 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER 174.0 36.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m 174.88 72.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.029 HD13 HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -69.58 137.44 88.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.614 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.04 96.2 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.652 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -41.25 -28.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' PRO . . . -65.43 -36.6 84.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.639 HG23 ' HB3' ' A' ' 79' ' ' ALA . 34.5 mm -76.51 -54.21 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CE2' ' HE2' ' A' ' 65' ' ' MET . 0.1 OUTLIER -64.99 -7.29 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -90.28 -41.38 11.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -92.42 -7.31 47.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HG3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -82.31 -80.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 35' ' ' LEU . 22.9 m -123.56 -59.64 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.6 ' H ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -66.9 160.14 26.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.619 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -77.19 -53.05 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -168.66 96.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -170.3 127.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' HB2' HG23 ' A' ' 25' ' ' ILE . 1.2 pp0? -110.65 57.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LEU . . . 116.07 29.18 2.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.534 HG22 ' HE3' ' A' ' 65' ' ' MET . 0.0 OUTLIER -39.9 -28.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.743 ' O ' HD13 ' A' ' 46' ' ' LEU . 23.7 mt -64.04 -57.53 9.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.7 m -64.17 -12.85 44.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -85.94 -48.84 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.776 HD13 ' O ' ' A' ' 45' ' ' LEU . 3.0 tm? -75.56 -20.0 58.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.743 HD13 ' O ' ' A' ' 42' ' ' LEU . 7.7 mp -80.3 0.33 33.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -35.9 -58.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.17 155.33 92.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.424 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.0 109.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -157.12 93.64 2.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.28 13.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.3 m0 63.58 38.97 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.719 ' H ' HG21 ' A' ' 9' ' ' THR . 1.2 t -65.37 -42.93 92.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER 66.78 10.19 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.356 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.74 ' HG ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER 49.72 64.19 1.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -45.76 -45.3 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -48.91 41.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.0 87.58 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -71.29 -36.62 71.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 0.763 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -53.53 -35.89 61.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -55.9 -66.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -40.61 -39.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ARG . 2.1 ttt180 -66.96 -58.37 5.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' ARG . 70.3 mtt-85 -37.58 -40.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.669 ' HE2' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -65.79 -59.01 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 1.8 m0 -51.38 -26.99 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -69.02 -35.0 76.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.683 ' CE3' HD11 ' A' ' 20' ' ' LEU . 7.1 t90 -56.81 -43.51 81.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -85.09 -34.35 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.503 ' C ' ' HD3' ' A' ' 72' ' ' PRO . 5.0 tt0 -78.65 2.67 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.59 ' N ' ' HD3' ' A' ' 72' ' ' PRO . 1.4 mm-40 -131.72 54.87 15.52 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.59 ' HD3' ' N ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -74.98 -27.81 9.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -36.71 93.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' PRO . 3.2 m-85 54.94 67.11 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -104.58 15.2 28.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.08 26.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 48.84 51.28 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ALA . 28.3 p 60.78 73.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.639 ' HB3' HG23 ' A' ' 29' ' ' ILE . . . -40.57 151.67 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.26 120.41 6.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 175.34 161.5 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.407 HD21 ' OG ' ' A' ' 126' ' ' SER . 0.2 OUTLIER -112.68 168.8 9.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.5 -163.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.478 ' HB2' ' HB2' ' A' ' 125' ' ' PRO . . . -112.21 150.98 30.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.63 172.52 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' ARG . 18.8 mttt -52.15 171.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' LYS . 2.0 ttp180 -38.82 110.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -117.56 -179.37 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 90' ' ' GLN . 6.1 tt0 64.65 119.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER 167.63 73.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.17 71.28 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -175.9 95.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.609 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -41.52 163.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.434 1.083 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.23 166.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.08 167.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -164.42 170.08 16.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.38 151.06 5.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 175.9 145.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 0.735 . . . . 0.0 109.362 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 m -162.48 86.23 1.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.68 5.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.98 112.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -172.46 149.48 2.05 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -176.26 2.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.787 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.78 64.52 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 tp -167.52 129.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.454 HG21 ' HB3' ' A' ' 140' ' ' GLU . 96.9 t -138.5 -79.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.422 ' CE1' ' CG ' ' A' ' 146' ' ' ASN . 6.6 t80 44.55 80.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 111' ' ' GLN . 2.5 m -110.57 147.59 33.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -75.48 -47.46 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 137' ' ' LEU . 77.1 t -55.89 -48.51 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.617 ' H ' HG22 ' A' ' 108' ' ' THR . 5.5 mm100 -61.62 -60.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -21.67 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 0.7 OUTLIER -75.46 -35.82 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.538 ' CG2' HG13 ' A' ' 133' ' ' ILE . 35.1 m -77.57 -53.12 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -55.48 -43.66 75.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.665 ' HA ' ' CE1' ' A' ' 147' ' ' PHE . 38.3 t60 -57.18 -41.77 79.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.35 -18.37 64.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.571 HG12 HD21 ' A' ' 129' ' ' LEU . 0.6 OUTLIER -73.68 -42.0 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 0.7 OUTLIER -37.31 -29.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -106.22 -39.65 5.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.539 ' CB ' HD12 ' A' ' 118' ' ' ILE . 0.9 OUTLIER -37.44 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 7.1 p-10 154.54 -20.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 129' ' ' LEU . 20.1 mtmt -83.91 17.44 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.628 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -52.6 -44.0 93.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.2 Cg_endo -75.03 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.602 ' C ' ' O ' ' A' ' 125' ' ' PRO . 19.3 m -21.38 94.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.716 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.3 OUTLIER -51.18 -25.02 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.81 -25.88 56.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -72.68 -55.58 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.997 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.6 OUTLIER -54.23 -32.0 54.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.337 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 127' ' ' LYS . 24.4 mt -83.98 -31.33 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 m -64.75 -46.78 80.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.644 HG21 ' HG ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -72.97 -56.7 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 133' ' ' ILE . 39.1 p -48.17 -34.87 10.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.03 -23.29 21.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -50.57 -55.27 16.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.518 HD12 ' OE1' ' A' ' 111' ' ' GLN . 1.5 mp -123.1 22.92 9.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -160.34 -130.62 1.15 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.6 OUTLIER 176.76 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.454 ' HB3' HG21 ' A' ' 106' ' ' VAL . 5.7 tp10 -84.21 164.8 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 144' ' ' VAL . 0.3 OUTLIER -89.09 0.27 56.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.417 ' CB ' ' HB ' ' A' ' 106' ' ' VAL . 0.6 OUTLIER -47.41 -55.89 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 146' ' ' ASN . 3.1 t -60.47 -48.01 83.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.875 ' HA ' HD12 ' A' ' 115' ' ' LEU . 79.3 t -40.87 -55.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.1 OUTLIER -51.44 -41.73 61.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.961 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 143' ' ' THR . 34.9 t-20 -41.07 -50.68 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.839 ' HD2' HD13 ' A' ' 115' ' ' LEU . 2.4 t80 -91.29 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.449 ' CD2' ' CG1' ' A' ' 144' ' ' VAL . 1.7 m-30 -34.53 -34.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -87.0 -50.25 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.17 -45.34 92.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.708 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -80.97 -63.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.596 HG21 ' CE3' ' A' ' 66' ' ' TRP . 1.9 mp 64.2 110.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -80.43 -171.1 2.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.539 HG23 ' HE2' ' A' ' 62' ' ' PHE . 1.2 m -102.36 -47.34 4.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HA ' HD23 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -96.77 -42.77 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -32.05 72.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.741 HG21 ' NE1' ' A' ' 66' ' ' TRP . 7.5 p -55.13 -55.6 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -47.23 -58.4 4.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.9 -21.49 63.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -73.14 -58.53 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 13' ' ' ALA . 3.1 mt -43.4 -33.4 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 23' ' ' TYR . 85.6 m -69.3 -50.63 44.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -82.74 -2.65 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.387 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -91.68 -60.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.852 HD11 ' CE3' ' A' ' 68' ' ' TRP . 1.4 mp -56.89 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -85.65 -75.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.547 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 173.55 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.763 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER 177.42 35.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -162.42 61.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.06 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 39' ' ' GLN . 17.4 mm -58.83 120.46 46.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.01 85.1 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' OE1' ' CD ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -43.1 -29.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.29 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -78.69 -46.15 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 38' ' ' SER . 4.4 t80 -59.65 -13.3 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 35' ' ' LEU . . . -89.27 -54.39 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -79.81 1.15 27.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CG ' HG23 ' A' ' 29' ' ' ILE . 4.1 mmm180 -90.04 -67.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.758 HG23 ' CD1' ' A' ' 68' ' ' TRP . 21.8 t -114.49 -76.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -127.15 145.26 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -49.05 -42.11 37.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.293 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' O ' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.61 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.737 ' O ' HG22 ' A' ' 41' ' ' THR . 41.3 t -59.19 148.22 32.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.611 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -39.0 -42.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . -41.46 -24.75 0.14 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 38' ' ' SER . 3.1 t -57.04 -35.42 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.851 HD11 ' HA ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -72.93 -58.31 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.3 p -65.67 -9.41 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' GLY . 4.2 m-20 -73.79 -53.9 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -78.52 -19.97 51.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.652 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -91.18 0.52 57.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' LEU . 9.3 ttt85 -33.74 -40.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -74.73 131.44 79.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 86.64 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -129.45 144.3 52.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.622 ' HB2' ' CE3' ' A' ' 52' ' ' TRP . 18.1 Cg_endo -75.04 112.49 3.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.622 ' CE3' ' HB2' ' A' ' 51' ' ' PRO . 2.8 m-90 44.75 90.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 4.1 t -89.13 -40.4 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER 81.06 83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.671 HD12 ' HE1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -38.38 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -65.45 -24.67 67.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -56.37 -48.77 76.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.809 ' O ' HG22 ' A' ' 61' ' ' THR . . . -177.55 107.25 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -11.28 20.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.68 -56.24 11.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.809 HG22 ' O ' ' A' ' 58' ' ' GLY . 9.0 t -48.06 -34.55 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.851 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -58.68 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.532 ' HA ' ' CD2' ' A' ' 66' ' ' TRP . 8.8 ttt180 -60.48 -33.28 72.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.831 ' HB3' HD21 ' A' ' 35' ' ' LEU . 32.7 mmt180 -53.4 -63.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.148 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.764 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -45.9 -44.33 14.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.061 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.741 ' NE1' HG21 ' A' ' 12' ' ' VAL . 6.8 m0 -53.54 -31.44 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ARG . 5.5 mtpp -61.94 -45.69 92.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.852 ' CE3' HD11 ' A' ' 20' ' ' LEU . 1.8 t90 -45.17 -46.1 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 107.976 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.6 HD23 ' CD1' ' A' ' 20' ' ' LEU . 27.9 mt -52.88 -41.76 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -60.63 -42.43 96.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' OE1' ' CA ' ' A' ' 76' ' ' ARG . 13.5 mt-10 65.42 141.44 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' GLU . 18.4 Cg_endo -75.06 53.65 3.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' PRO . 1.2 mp0 59.94 123.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 57.78 80.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' C ' ' OE1' ' A' ' 71' ' ' GLU . 3.1 mt-30 -173.06 36.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' CA ' ' OE1' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -105.44 44.27 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.62 34.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.93 -68.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.501 ' HB2' ' CZ2' ' A' ' 68' ' ' TRP . . . -41.67 101.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.49 113.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -87.13 92.01 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 149.33 45.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.552 ' HB1' ' H ' ' A' ' 128' ' ' GLU . . . -48.57 -35.74 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.55 116.34 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.43 161.88 38.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.351 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 15.27 24.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.83 127.51 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.45 137.14 36.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.78 163.52 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -98.78 -54.16 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' CD ' ' OE1' ' A' ' 27' ' ' GLN . 8.8 tt0 61.26 126.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -177.71 100.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.589 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 59.68 151.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 106.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.4 172.46 2.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.1 122.28 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.2 156.14 26.6 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 173.45 170.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 t -169.0 144.44 2.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.36 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -169.41 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -157.72 176.73 12.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 154.53 43.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.33 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.88 -175.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.69 104.31 7.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.076 HG23 HG23 ' A' ' 143' ' ' THR . 2.7 m -104.54 -44.83 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 106' ' ' VAL . 66.2 t80 28.69 93.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.793 ' H ' HG22 ' A' ' 143' ' ' THR . 11.3 m -113.23 160.59 18.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 110' ' ' VAL . 7.8 p-10 -87.26 -52.82 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 56.2 t -56.58 -38.17 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.549 ' HG2' HD12 ' A' ' 133' ' ' ILE . 5.6 tm0? -62.4 -59.52 4.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 116' ' ' HIS . 1.9 tmm_? -58.66 -30.99 67.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -54.53 44.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.541 ' HB ' HD11 ' A' ' 133' ' ' ILE . 20.4 m -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.805 HD13 HG21 ' A' ' 133' ' ' ILE . 5.1 tp -51.14 -45.59 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.559 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 25.0 t60 -52.47 -27.73 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -82.9 -22.9 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.745 HD12 ' H ' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -67.81 -43.23 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 147' ' ' PHE . 1.2 t80 -39.69 -28.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.14 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.427 ' HA ' ' NE ' ' A' ' 124' ' ' ARG . 25.3 tt0 179.6 105.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.517 ' HB2' HD13 ' A' ' 118' ' ' ILE . 1.2 m-20 -165.85 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.745 ' H ' HD12 ' A' ' 118' ' ' ILE . 0.1 OUTLIER -142.71 41.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.668 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 16.7 mtm180 -58.83 -41.47 88.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 124' ' ' ARG . 18.3 Cg_endo -74.97 -49.87 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' ' 83' ' ' ALA . 16.0 m -38.4 92.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 125' ' ' PRO . 1.2 tmtp? -45.33 -39.52 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.552 ' H ' ' HB1' ' A' ' 83' ' ' ALA . 1.8 mm-40 -58.7 -51.3 70.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -44.51 -49.08 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 1.041 ' N ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -50.35 -37.82 38.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 128' ' ' GLU . 3.8 mt -84.41 -25.5 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.624 HG22 ' OE1' ' A' ' 136' ' ' GLN . 62.4 m -59.95 -48.95 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.805 HG21 HD13 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -68.6 -55.49 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.528 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.3 OUTLIER -49.95 -33.6 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -85.19 -25.4 27.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.624 ' OE1' HG22 ' A' ' 132' ' ' THR . 0.4 OUTLIER -75.82 -18.46 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.61 HD22 ' C ' ' A' ' 136' ' ' GLN . 2.5 mm? -138.59 22.78 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.574 ' O ' HD23 ' A' ' 139' ' ' LEU . . . 172.24 -117.36 0.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER 174.47 -34.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.97 160.01 28.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 141' ' ' LEU . 0.6 OUTLIER -88.17 1.54 54.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.519 ' CB ' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -55.41 -57.06 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 1.076 HG23 HG23 ' A' ' 106' ' ' VAL . 18.0 p -51.37 -49.5 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.561 HG21 ' HG3' ' A' ' 130' ' ' GLN . 55.9 t -42.74 -48.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.422 ' O ' ' HB3' ' A' ' 149' ' ' MET . 0.2 OUTLIER -55.85 -40.93 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 143' ' ' THR . 54.2 t-20 -43.64 -51.2 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 119' ' ' PHE . 0.8 OUTLIER -84.76 -66.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.538 ' CD1' HG13 ' A' ' 144' ' ' VAL . 4.5 m-85 -35.5 -33.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.486 ' HE2' ' HB3' ' A' ' 149' ' ' MET . 0.3 OUTLIER -90.45 -47.0 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.35 -43.92 98.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.551 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -81.23 -47.95 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.569 HG21 ' CE2' ' A' ' 66' ' ' TRP . 7.9 tp -119.2 -3.26 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER 80.84 169.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.5 ' C ' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -102.83 -37.24 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -100.46 -44.98 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 1.6 mt-10 -63.99 -21.5 66.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 13' ' ' ALA . 13.3 p -69.39 -57.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 16' ' ' ILE . . . -48.39 -56.53 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -37.99 86.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 19' ' ' GLU . 16.1 mtt-85 -56.13 -44.22 78.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.739 HG21 ' HG2' ' A' ' 65' ' ' MET . 4.5 mt -53.44 -62.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 23' ' ' TYR . 5.0 m -55.8 -55.41 32.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 22' ' ' ARG . 26.1 m -59.06 -20.33 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 2.1 tt0 -94.17 -17.12 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.764 ' HB3' HD13 ' A' ' 25' ' ' ILE . 3.6 mp -91.19 -93.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -89.41 -0.74 57.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 87.31 -26.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 163.79 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -174.63 61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.764 HD13 ' HB3' ' A' ' 20' ' ' LEU . 1.6 tp -81.81 138.85 46.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 25' ' ' ILE . 18.4 Cg_endo -75.01 82.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.644 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -38.12 -30.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 26' ' ' PRO . . . -59.5 -53.03 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' PRO . 1.1 mp -75.25 -49.12 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CD2' HG12 ' A' ' 25' ' ' ILE . 1.3 t80 -58.27 -11.74 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -89.0 -43.71 10.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.93 0.49 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' CD ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -78.21 -68.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -120.39 -75.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -104.68 153.04 21.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.02 -50.26 74.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.649 ' CB ' HG21 ' A' ' 41' ' ' THR . 22.1 mtt180 -59.67 142.47 52.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 27' ' ' GLN . 34.3 m -156.32 -179.08 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 73.48 40.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.28 34.46 89.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.649 HG21 ' CB ' ' A' ' 37' ' ' ARG . 2.1 t -48.07 -39.45 20.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.91 HD13 ' SD ' ' A' ' 65' ' ' MET . 0.9 OUTLIER -44.54 -43.04 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -38.32 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 6.5 t70 -61.07 -56.57 19.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.056 HD13 HD21 ' A' ' 55' ' ' LEU . 2.7 pp -63.77 -23.33 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.694 HD11 ' HE1' ' A' ' 62' ' ' PHE . 16.3 mt -80.58 2.77 24.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' C ' ' O ' ' A' ' 46' ' ' LEU . 1.1 tpt180 -29.38 -46.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -66.9 122.29 81.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -149.46 135.55 10.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 119.88 5.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 61.16 64.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.48 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 1.2 t -68.67 -44.57 73.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.596 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 46.91 32.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.056 HD21 HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER 39.12 86.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -19.86 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.7 m -113.34 36.78 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.33 60.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -39.28 86.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.27 -43.71 74.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.9 m -50.78 -62.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.969 ' CD1' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -40.45 -43.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.466 ' CG ' ' HE3' ' A' ' 67' ' ' LYS . 15.9 ttm180 -70.35 -55.0 10.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.537 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -37.83 -33.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.91 ' SD ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -73.39 -54.88 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 3.7 m0 -52.05 -24.46 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HE3' ' CG ' ' A' ' 63' ' ' ARG . 9.0 mmtt -66.87 -52.68 40.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.712 ' CZ2' ' HB2' ' A' ' 79' ' ' ALA . 1.2 t90 -42.6 -52.77 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 20' ' ' LEU . 4.8 mt -41.66 -54.79 3.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -72.34 -74.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 73.38 137.95 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' GLU . 18.3 Cg_endo -75.01 53.14 3.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' PRO . 13.0 mt-10 36.34 62.3 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -173.26 56.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 170.08 43.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -37.65 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -7.21 48.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.16 -68.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.712 ' HB2' ' CZ2' ' A' ' 68' ' ' TRP . . . -42.43 -45.96 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mp -97.51 94.79 7.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.45 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 tt -42.91 119.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -133.64 47.43 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.541 ' CB ' ' NH1' ' A' ' 87' ' ' ARG . . . -79.35 74.32 5.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -63.07 161.03 13.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.27 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mttt 67.43 68.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.541 ' NH1' ' CB ' ' A' ' 84' ' ' ALA . 0.1 OUTLIER -103.89 160.99 14.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.9 138.11 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 51.86 99.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.87 79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -151.53 174.52 13.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 64.5 126.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.596 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -55.62 -164.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 77.19 -70.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t0 70.22 150.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 164.1 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 155.2 124.68 0.9 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 170.81 162.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 5.5 t -165.06 145.79 6.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' O ' ' CG ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -74.99 85.02 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER 171.05 124.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -150.83 64.16 6.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 102' ' ' LYS . 18.2 Cg_endo -75.04 97.83 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.769 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -52.08 146.86 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.07 132.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.617 HG23 ' H ' ' A' ' 107' ' ' PHE . 10.3 m -134.28 -59.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.617 ' H ' HG23 ' A' ' 106' ' ' VAL . 4.6 t80 32.9 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.594 ' HB ' HD13 ' A' ' 137' ' ' LEU . 16.9 m -114.01 165.99 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -84.67 -47.66 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.21 -53.48 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.941 ' CG ' HD22 ' A' ' 137' ' ' LEU . 0.7 OUTLIER -51.38 -60.77 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -45.89 -23.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.557 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 4.6 ttp180 -86.66 -33.5 20.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.568 HG21 HG12 ' A' ' 133' ' ' ILE . 49.7 m -68.11 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.789 HD13 HG21 ' A' ' 133' ' ' ILE . 7.0 tp -54.68 -44.26 73.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.629 ' HA ' ' CD1' ' A' ' 147' ' ' PHE . 75.0 t60 -56.94 -27.33 60.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 114' ' ' THR . . . -77.11 -20.23 55.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 124' ' ' ARG . 1.1 tp -75.81 -43.79 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 147' ' ' PHE . 1.0 OUTLIER -37.71 -29.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 118' ' ' ILE . 22.8 mmtt -59.3 -72.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 171.64 102.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.21 -53.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -164.86 36.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.519 ' HA ' HG23 ' A' ' 118' ' ' ILE . 4.4 mtp180 -36.52 -52.18 1.85 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.632 ' O ' ' C ' ' A' ' 126' ' ' SER . 18.4 Cg_endo -74.98 -95.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 125' ' ' PRO . 1.9 m 18.4 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -45.51 -28.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 132' ' ' THR . 0.2 OUTLIER -68.79 -36.82 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 1.004 HD13 ' N ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -61.94 -57.83 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 1.004 ' N ' HD13 ' A' ' 129' ' ' LEU . 3.3 tt0 -45.96 -31.87 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 135' ' ' GLN . 22.5 mm -90.54 -26.46 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 129' ' ' LEU . 27.8 m -57.99 -35.79 71.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.858 HD11 ' HA ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -86.56 -54.32 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.496 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 0.8 OUTLIER -53.78 -31.41 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.519 ' CG ' ' O ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -83.83 -29.9 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -53.92 -42.7 69.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.941 HD22 ' CG ' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -92.9 -40.83 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 139' ' ' LEU . . . -152.98 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.439 ' HB3' ' O ' ' A' ' 138' ' ' GLY . 3.7 pp 178.53 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.84 147.59 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.0 pp -82.89 1.04 41.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -55.2 14.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.832 HG21 HD21 ' A' ' 137' ' ' LEU . 0.4 OUTLIER -55.76 -48.13 75.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.725 HG22 ' CD2' ' A' ' 115' ' ' LEU . 17.3 t -46.66 -51.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 149' ' ' MET . 0.2 OUTLIER -48.44 -44.6 35.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.056 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.494 ' ND2' ' CE2' ' A' ' 107' ' ' PHE . 9.9 t-20 -43.79 -49.53 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.711 ' CE1' ' CB ' ' A' ' 151' ' ' ALA . 1.7 t80 -88.53 -67.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.584 ' CD1' HG13 ' A' ' 144' ' ' VAL . 2.0 m-85 -34.53 -37.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 145' ' ' SER . 0.1 OUTLIER -78.61 -55.27 5.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -47.51 84.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.711 ' CB ' ' CE1' ' A' ' 147' ' ' PHE . . . -75.4 -70.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.953 . . . . . . . . 1 1 . 1 stop_ save_